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