N-Benzylbiguanide hydrochloride supplier

Name
2-benzyl-1-(diaminomethylidene)guanidine
EINECS
CAS No. 1421-23-4
Article Data2
CAS DataBase
Density 1.28g/cm³
Solubility
Melting Point
Formula C9H13 N5 . Cl H
Boiling Point 393.9°C at 760 mmHg
Molecular Weight 227.697
Flash Point 192°C
Transport Information
Appearance
Safety Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NO_x and HCl.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Biguanide,1-benzyl-, monohydrochloride (8CI); Imidodicarbonimidic diamide, N-(phenylmethyl)-,monohydrochloride (9CI); Benzylbiguanide hydrochloride; N-Benzylbiguanidehydrochloride; N1-Benzylbiguanide hydrochloride
PSA
LogP

N-Benzylbiguanide hydrochloride Chemical Properties

Molecule structure of N-Benzylbiguanide hydrochloride (CAS NO.1421-23-4):

IUPAC Name: [(E)-N'-(N'-Benzylcarbamimidoyl)carbamimidoyl]azanium chloride
Molecular Weight: 227.69396 g/mol
Molecular Formula: C₉H₁₄ClN₅
Boiling Point: 393.9 °C at 760 mmHg
Flash Point: 192 °C
Enthalpy of Vaporization: 64.39 kJ/mol
Vapour Pressure: 2.05E-06 mmHg at 25 °C
H-Bond Donor: 3
H-Bond Acceptor: 5
Rotatable Bond Count: 3
Tautomer Count: 8
Exact Mass: 227.093773
MonoIsotopic Mass: 227.093773
Topological Polar Surface Area: 104
Heavy Atom Count: 15
Complexity: 227
Canonical SMILES: C1=CC=C(C=C1)CN=C(N)N=C([NH3+])N.[Cl-]
Isomeric SMILES: C1=CC=C(C=C1)CN=C(N)/N=C(/[NH3+])\N.[Cl-]
InChI: InChI=1S/C9H13N5.ClH/c10-8(11)14-9(12)13-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H6,10,11,12,13,14);1H
InChIKey of N-Benzylbiguanide hydrochloride (CAS NO.1421-23-4): AQJYNUYNAIBZPG-UHFFFAOYSA-N

N-Benzylbiguanide hydrochloride Toxicity Data With Reference

1.	orl-rat LD50:481 mg/kg	FRPSAX Farmaco, Edizione Scientifica. 15 (1960),521.
2.	ipr-rat LD50:108 mg/kg	FRPSAX Farmaco, Edizione Scientifica. 15 (1960),521.
3.	ipr-mus LD50:195 mg/kg	JAJAAA Journal of Antibiotics, Series A. 18 (1965),196.

N-Benzylbiguanide hydrochloride Safety Profile

Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NO_x and HCl.

N-Benzylbiguanide hydrochloride Specification

N-Benzylbiguanide hydrochloride (CAS NO.1421-23-4) is also named as 1-Benzilbiguanide cloridrato ; 1-Benzilbiguanide cloridrato [Italian] ; 1-Benzylbiguanide hydrochloride ; Benzylbiguanide hydrochloride ; NSC 20590 ; Biguanide, 1-benzyl-, monohydrochloride ; Imidodicarbonimidic diamide, N-(phenylmethyl)-, monohydrochloride (9CI) .

Product Name

2-benzyl-1-(diaminomethylidene)guanidine

N-Benzylbiguanide hydrochloride Chemical Properties

N-Benzylbiguanide hydrochloride Toxicity Data With Reference

N-Benzylbiguanide hydrochloride Safety Profile

N-Benzylbiguanide hydrochloride Specification

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