Imidodicarbonimidicdiamide, N-(phenylmethyl)-, hydrochloride (1:1)

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Names

[ Name ]:
Imidodicarbonimidicdiamide, N-(phenylmethyl)-, hydrochloride (1:1)

[Synonym ]:
benzylbiguanide hydrochloride
1-benzyl-biguanide,hydrochloride
N1-benzyl-biguanide hydrochloride
1-Benzyl-biguanid,Hydrochlorid

Chemical & Physical Properties

[ Density]:
1.28g/cm3

[ Boiling Point ]:
393.9ºC at 760 mmHg

[ Molecular Formula ]:
C₉H₁₄ClN₅

[ Molecular Weight ]:
227.69400

[ Flash Point ]:
192ºC

[ Exact Mass ]:
227.09400

[ PSA ]:
97.78000

[ LogP ]:
2.67760

[ Vapour Pressure ]:
2.05E-06mmHg at 25°C

[ Index of Refraction ]:
1.636

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DU1106000

CHEMICAL NAME :: Biguanide, 1-benzyl-, monohydrochloride

CAS REGISTRY NUMBER :: 1421-23-4

LAST UPDATED :: 199410

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C9-H13-N5.Cl-H

MOLECULAR WEIGHT :: 227.73

WISWESSER LINE NOTATION :: MUYZMYUM&M1R &GH

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 :: 481 mg/kg

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

REFERENCE :: FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 15,521,1960

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 108 mg/kg

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

REFERENCE :: FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 15,521,1960

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 160 mg/kg

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

REFERENCE :: PLRCAT Pharmacological Research Communications. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1969- Volume(issue)/page/year: 6,117,1974

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 150 mg/kg

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

REFERENCE :: JACSAT Journal of the American Chemical Society. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1879- Volume(issue)/page/year: 81,3728,1959

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

cyanoguanidine monohydrochloride
Benzylamine
Benzylamine hydrochloride

DownStream

Related Compounds

rac-2-{[(1R,3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclohexyl]formamido}butanoic acid
rac-3-{[(1R,3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclohexyl]formamido}-2,2-difluoropropanoic acid
(1-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}cyclopropyl)methanamine
(2S,4S)-1-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1-methyl-1H-pyrazole-5-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
4-{[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1-methyl-1H-pyrazol-3-yl]formamido}hexanoic acid
rac-(1R,3S)-2,2-dimethyl-3-[2-(pyrrolidin-1-yl)ethyl]cyclopropan-1-amine
2-({[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1-methyl-1H-pyrazol-3-yl]formamido}oxy)-3-methoxypropanoic acid
(2S)-1-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1-methyl-1H-pyrazole-3-carbonyl]piperidine-2-carboxylic acid
2-cyclopropyl-2-{[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1-methyl-1H-pyrazol-3-yl]formamido}propanoic acid
(2R)-4-(4-methyloxan-4-yl)butan-2-amine

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