4-aminohexanoylphenone

Modify Date: 2025-08-25 11:24:58

4-aminohexanoylphenone Structure
4-aminohexanoylphenone structure
Common Name 4-aminohexanoylphenone
CAS Number 38237-76-2 Molecular Weight 191.26900
Density 1.01g/cm3 Boiling Point 344.3ºC at 760 mmHg
Molecular Formula C12H17NO Melting Point 85ºC
MSDS N/A Flash Point 162ºC

 Names

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

Name 4'-Aminohexanophenone
Synonym More Synonyms

 Chemical & Physical Properties

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

Density 1.01g/cm3
Boiling Point 344.3ºC at 760 mmHg
Melting Point 85ºC
Molecular Formula C12H17NO
Molecular Weight 191.26900
Flash Point 162ºC
Exact Mass 191.13100
PSA 43.09000
LogP 3.61300
Index of Refraction 1.536
InChIKey YDQJFPLRVSPPGE-UHFFFAOYSA-N
SMILES CCCCCC(=O)c1ccc(N)cc1

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Toxicological Information

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MP4450000
CHEMICAL NAME :
Hexanophenone, 4'-amino-
CAS REGISTRY NUMBER :
38237-76-2
BEILSTEIN REFERENCE NO. :
2718524
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C12-H17-N-O
MOLECULAR WEIGHT :
191.30
WISWESSER LINE NOTATION :
ZR DV5

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 :
216 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GEPHDP General Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.6- 1975- Volume(issue)/page/year: 14,465,1983
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
299 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GEPHDP General Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.6- 1975- Volume(issue)/page/year: 14,465,1983
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
35 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 17,900,1974

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

HS Code 2922399090

 Synthetic Route

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

~%

4-aminohexanoylphenone Structure

4-aminohexanoyl...

CAS#:38237-76-2

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Literature: Rennison, David; Conole, Daniel; Tingle, Malcolm D.; Yang, Junpeng; Eason, Charles T.; Brimble, Margaret A. Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 24 p. 6629 - 6635

~73%

4-aminohexanoylphenone Structure

4-aminohexanoyl...

CAS#:38237-76-2

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Literature: Nemeth, Janos; Kiss, Arpad; Hell, Zoltan Tetrahedron Letters, 2013 , vol. 54, # 45 p. 6094 - 6096

~%

4-aminohexanoylphenone Structure

4-aminohexanoyl...

CAS#:38237-76-2

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Literature: Doub et al. Journal of the American Chemical Society, 1958 , vol. 80, p. 2205,2210 Full Text Show Details Ogawa Technology Reports of Kansai University, 1959 , # 1 p. 41,43, 44 Full Text Show Details Ishidate; Nambara Pharmaceutical Bulletin, 1953 , vol. 1, p. 290 Full Text Show Details Sugimoto et al. Yakugaku Zasshi, 1951 , vol. 71, p. 1161 Chem.Abstr., 1952 , p. 5011

~%

4-aminohexanoylphenone Structure

4-aminohexanoyl...

CAS#:38237-76-2

Learn More
Literature: Doub et al. Journal of the American Chemical Society, 1958 , vol. 80, p. 2205,2210 Full Text Show Details Ogawa Technology Reports of Kansai University, 1959 , # 1 p. 41,43, 44 Full Text Show Details Ishidate; Nambara Pharmaceutical Bulletin, 1953 , vol. 1, p. 290

~%

4-aminohexanoylphenone Structure

4-aminohexanoyl...

CAS#:38237-76-2

Learn More
Literature: Doub et al. Journal of the American Chemical Society, 1958 , vol. 80, p. 2205,2210 Full Text Show Details Ogawa Technology Reports of Kansai University, 1959 , # 1 p. 41,43, 44 Full Text Show Details Ishidate; Nambara Pharmaceutical Bulletin, 1953 , vol. 1, p. 290

~%

4-aminohexanoylphenone Structure

4-aminohexanoyl...

CAS#:38237-76-2

Learn More
Literature: Nikolenko; Babiewskii Zhurnal Obshchei Khimii, 1955 , vol. 25, p. 2231,2233 J. Gen. Chem. USSR (Engl. Transl.), 1955 , vol. 25, p. 2195,2196

~%

4-aminohexanoylphenone Structure

4-aminohexanoyl...

CAS#:38237-76-2

Learn More
Literature: Rennison, David; Conole, Daniel; Tingle, Malcolm D.; Yang, Junpeng; Eason, Charles T.; Brimble, Margaret A. Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 24 p. 6629 - 6635

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2922399090
Summary 2922399090 other amino-aldehydes, amino-ketones and amino-quinones, other than those containing more than one kind of oxygen function; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

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

1-(4-aminophenyl)hexan-1-one
4-Hexanoylaniline

 4-aminohexanoylphenone | FAQ

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

Q: What is the polar surface area (PSA) of 4'-Aminohexanophenone?
A: Polar surface area (PSA) of 4'-Aminohexanophenone is 43.09000.
Q: What is the InChIKey of 4'-Aminohexanophenone?
A: InChIKey of 4'-Aminohexanophenone is YDQJFPLRVSPPGE-UHFFFAOYSA-N.
Q: What is the molecular weight of 4'-Aminohexanophenone?
A: Molecular weight of 4'-Aminohexanophenone is 191.26900.
Q: What is the CAS number of 4'-Aminohexanophenone?
A: CAS number of 4'-Aminohexanophenone is 38237-76-2.
Q: What are the upstream materials of 4'-Aminohexanophenone?
A: Related upstream materials(CAS) of 4'-Aminohexanophenone: 7295-46-7;100-19-6;71-36-3;33228-41-0;142-61-0;103-84-4;7295-50-3;108-86-1.
Q: What English synonyms does 4'-Aminohexanophenone have?
A: English synonyms of 4'-Aminohexanophenone: 1-(4-aminophenyl)hexan-1-one, 4-Hexanoylaniline.
Q: What is the SMILES notation of 4'-Aminohexanophenone?
A: SMILES notation of 4'-Aminohexanophenone is CCCCCC(=O)c1ccc(N)cc1.
Q: What is the boiling point of 4'-Aminohexanophenone?
A: Boiling point of 4'-Aminohexanophenone is 344.3ºC at 760 mmHg.
Q: What is the English name of 4'-Aminohexanophenone?
A: The English name of 4'-Aminohexanophenone is 4'-Aminohexanophenone.
Q: What is the molecular formula of 4'-Aminohexanophenone?
A: Molecular formula of 4'-Aminohexanophenone is C12H17NO.

 4-aminohexanoylphenonefactory

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

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
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