5-Aminobenzimidazole

HCID 13623CAS 934-22-5

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Basic information

Standard SMILES: Nc1ccc2nc[nH]c2c1
InChIKey: WFRXSXUDWCVSPI-UHFFFAOYSA-N
Molecular formula: C7H7N3
Average molar mass: 133.15 g/mol
Monoisotopic mass: 133.06399722

Overview

RN given refers to parent cpd; structure given in first source; inhibits gastric secretions in rats

Names & identifiers

Preferred name: 5-Aminobenzimidazole
IUPAC: 3H-benzimidazol-5-amine
English name: 5-Aminobenzimidazole
Molecular formula: C7H7N3
Molecular weight: 133.15

Names & synonyms

5-Aminobenzimidazole934-22-56-Aminobenzimidazole1H-Benzimidazol-5-amineBENZIMIDAZOLE, 5-AMINO-NSC-2316127L7289019SDTXSID70239406RefChem:101985DTXCID50161897213-279-01H-Benzo[d]imidazol-6-amine

Show more names

NSC 231612TIMTEC-BB SBB0101455-amino-benzimidazol6-amino-benzimidazol

1H-1,3-benzodiazol-5-amine1H-Benzoimidazol-5-ylamine1h-benzo[d]imidazol-5-amine3H-BENZOIMIDAZOL-5-YLAMINE3H-benzimidazol-5-amine1h-1,3-benzimidazol-5-amine1H-Benzimidazol-6-amineBenzimidazol-5-ylamine

Database identifiers

CAS: 934-22-5
PubChem CID: 13623
DTXSID: DTXSID70239406
ChEMBL: CHEMBL1617811
UNII: 7L7289019S
EC Number: 213-279-0
Nikkaji: J3.654D

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 54.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 126

Physicochemical properties

Melting point: 163 · 163-168 °C
Boiling point: 222 °C/3.5mmHg · 222°C/3.5mmHg(lit.)
Density: 1.367 · 1.367
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: slightly sol. in Methanol
form: powder to crystal
pka: 14.47 · 14.47±0.30(Predicted)
color: Light yellow to Brown
λmax: 300 nm · 300nm(EtOH)(lit.)
InChI: InChI=1S/C7H7N3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,8H2,(H,9,10)
InChIKey: WFRXSXUDWCVSPI-UHFFFAOYSA-N
SMILES: C1NC2=CC(N)=CC=C2N=1
CAS DataBase Reference: 934 · 934-22-5(CAS DataBase Reference)
FDA UNII: 7 L7289019S · 7L7289019S
UNSPSC Code: 12352200 · 12352200
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319
Precautionary statements: 264 · P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-36-22
Safety Statements: 26 · 26-36/37/39
WGK Germany: 3 · 3
RTECS: 5785000 · DD5785000
HazardClass: IRRITANT
HS Code: 2933998090 · 2933998090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 2.3% (1 of 44) of reports.

Warning

H302 (93.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.