1H-1,4-Diazepine,1-[(4-chlorophenyl)phenylmethyl]hexahydro-4-methyl

Modify Date: 2026-07-10 15:06:04

1H-1,4-Diazepine,1-[(4-chlorophenyl)phenylmethyl]hexahydro-4-methyl structure	Common Name	1H-1,4-Diazepine,1-[(4-chlorophenyl)phenylmethyl]hexahydro-4-methyl
	CAS Number	848-53-3	Molecular Weight	314.85200
	Density	1.122 g/cm3	Boiling Point	403.9ºC at 760mmHg
	Molecular Formula	C₁₉H₂₃ClN₂	Melting Point	N/A
	MSDS	N/A	Flash Point	198.1ºC

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane
Synonym	More Synonyms

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density	1.122 g/cm3
Boiling Point	403.9ºC at 760mmHg
Molecular Formula	C₁₉H₂₃ClN₂
Molecular Weight	314.85200
Flash Point	198.1ºC
Exact Mass	314.15500
PSA	6.48000
LogP	3.94270
Index of Refraction	1.58
InChIKey	WEUCDJCFJHYFRL-UHFFFAOYSA-N
SMILES	CN1CCCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :: HM3930000

CHEMICAL NAME :: 1H-1,4-Diazepine, hexahydro-1-(p-chloro-alpha-phenylbenzyl)-4-methyl-

CAS REGISTRY NUMBER :: 848-53-3

BEILSTEIN REFERENCE NO. :: 0279626

LAST UPDATED :: 199701

DATA ITEMS CITED :: 14

MOLECULAR FORMULA :: C19-H23-Cl-N2

MOLECULAR WEIGHT :: 314.89

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 490 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: YAKUD5 Gekkan Yakuji. Pharmaceuticals Monthly. (Yakugyo Jihosha, Inaoka Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo 101, Japan) V.1- 1959- Volume(issue)/page/year: 22,375,1980

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 81 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: YAKUD5 Gekkan Yakuji. Pharmaceuticals Monthly. (Yakugyo Jihosha, Inaoka Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo 101, Japan) V.1- 1959- Volume(issue)/page/year: 22,375,1980

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 36 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: YAKUD5 Gekkan Yakuji. Pharmaceuticals Monthly. (Yakugyo Jihosha, Inaoka Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo 101, Japan) V.1- 1959- Volume(issue)/page/year: 22,375,1980

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 343 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: YAKUD5 Gekkan Yakuji. Pharmaceuticals Monthly. (Yakugyo Jihosha, Inaoka Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo 101, Japan) V.1- 1959- Volume(issue)/page/year: 22,375,1980

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 98 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 92,1339,1972

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 164 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: YAKUD5 Gekkan Yakuji. Pharmaceuticals Monthly. (Yakugyo Jihosha, Inaoka Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo 101, Japan) V.1- 1959- Volume(issue)/page/year: 22,375,1980

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 47800 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: YAKUD5 Gekkan Yakuji. Pharmaceuticals Monthly. (Yakugyo Jihosha, Inaoka Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo 101, Japan) V.1- 1959- Volume(issue)/page/year: 22,375,1980

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: >200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 1,168,1967

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 50 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 1,168,1967

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 20 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 1,168,1967

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 370 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 1,168,1967

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 76 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 1,168,1967

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 19 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 1,168,1967

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

1-Methyl-1,4-di...

CAS#:5441-40-7

1H-1,4-Diazepin...

CAS#:848-53-3

Learn More

Literature: Sommers et al. Journal of the American Chemical Society, 1954 , vol. 76, p. 5805

1-Methyl-1,4-di...

CAS#:4318-37-0

UNII:LC0K0NYJ2N

CAS#:134-83-8

1H-1,4-Diazepin...

CAS#:848-53-3

Learn More

Literature: Sommers et al. Journal of the American Chemical Society, 1954 , vol. 76, p. 5805

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 3
CAS#:5441-40-7 1-Methyl-1,4-di... CAS#:4318-37-0 1-Methyl-1,4-di... CAS#:134-83-8 UNII:LC0K0NYJ2N
DownStream 0

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

Lysilan

Cromon S (base)

Homochlorcyclizine

1-(4-Chlor-benzhydryl)-4-methyl-hexahydro-[1,4]diazepin

Curosajin

Homochlorocyclizine

Homoclomine

Homodamon

Homorestar

Wicron

Sankumin

1-(4-chloro-benzhydryl)-4-methyl-[1,4]diazepane

1-(4-chloro-benzhydryl)-4-methyl-hexahydro-[1,4]diazepine

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the InChIKey of 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane?

A: InChIKey of 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane is WEUCDJCFJHYFRL-UHFFFAOYSA-N.

Q: What is the CAS number of 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane?

A: CAS number of 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane is 848-53-3.

Q: What is the LogP of 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane?

A: LogP of 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane is 3.94270.

Q: What is the boiling point of 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane?

A: Boiling point of 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane is 403.9ºC at 760mmHg.

Q: What is the English name of 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane?

A: The English name of 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane is 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane.

Q: What are the upstream materials of 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane?

A: Related upstream materials(CAS) of 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane: 5441-40-7;4318-37-0;134-83-8.

Q: What English synonyms does 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane have?

A: English synonyms of 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane: Lysilan, Cromon S (base), Homochlorcyclizine, 1-(4-Chlor-benzhydryl)-4-methyl-hexahydro-[1,4]diazepin, Curosajin, Homochlorocyclizine, Homoclomine, Homodamon, Homorestar, Wicron, Sankumin, 1-(4-chloro-benzhydryl)-4-methyl-[1,4]diazepane, 1-(4-chloro-benzhydryl)-4-methyl-hexahydro-[1,4]diazepine.

Q: What is the polar surface area (PSA) of 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane?

A: Polar surface area (PSA) of 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane is 6.48000.

Q: What is the molecular weight of 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane?

A: Molecular weight of 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane is 314.85200.

Q: What is the molecular formula of 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane?

A: Molecular formula of 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane is C19H23ClN2.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Dayang Chem (Hangzhou) Co., Ltd.

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Product Name: 1H-1,4-Diazepine,1-[(4-chlorophenyl)phenylmethyl]hexahydro-4-methyl-
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
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Email: enquiry@dycnchem.com

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1H-1,4-Diazepine,1-[(4-chlorophenyl)phenylmethyl]hexahydro-4-methyl

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