2-(1H-Benzimidazol-2-yl)ethan-1-amine

HCID 415158

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Basic information

CAS: 29518-68-1
Standard SMILES: NCCc1nc2ccccc2[nH]1
InChIKey: GJEPMYMUORZPMP-UHFFFAOYSA-N
Molecular formula: C9H11N3
Average molar mass: 161.2 g/mol
Monoisotopic mass: 161.09529735

Names & identifiers

Preferred name: 2-(1H-Benzimidazol-2-yl)ethan-1-amine
IUPAC: 2-(1H-benzimidazol-2-yl)ethanamine
English name: BENZYLTRIPHENYLPHOSPHONIUM BROMIDE POL&
Molecular formula: C9H11N3
Molecular weight: 161.2

Names & synonyms

DTXSID209520172-(1H-Benzimidazol-2-yl)ethan-1-amineRefChem:1060690DTXCID80138012029518-68-12-(1H-Benzo[d]imidazol-2-yl)ethanamine2-(1H-Benzimidazol-2-yl)ethanamine1H-Benzimidazole-2-ethanamine2-(1H-Benzoimidazol-2-yl)-ethylamine2-(1H-Benzoimidazol-2-yl)ethylamine2-(1H-2-Benzoimidazolyl)-ethylamine2-(1H-Benzimidazol-2-yl)ethylamine

Show more names

1H-Benzimidazole-ethanamine2-(2-Aminoethyl)benzimidazole2-(Aminoethyl)-1H-benzimidazole1H-Benzimidazole-ethanamine diHCl1H-BENZIMIDAZOLE-ETHANAMINE . 2HCL1H-Benzimidazole-2-ethanamine(9CI)2-(1H-BENZO[D]IMIDAZOLE-2-YL)ETHAN-1-AMINE

2-(1H-1,3-BENZODIAZOL-2-YL)ETHAN-1-AMINEMFCD004627452-benzimidazol-2-ylethylamine2-(1H-benzo[d]imidazol-2-yl)ethan-1-amineBENZYLTRIPHENYLPHOSPHONIUM BROMIDE POL&NSC67437F1399-0004Cambridge id 5163526

Database identifiers

CAS: 29518-68-1、4499-07-4
PubChem CID: 415158
DTXSID: DTXSID20952017
ChEMBL: CHEMBL4580273
EC Number: 625-809-1
Nikkaji: J703.379F

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 54.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 149

Physicochemical properties

Melting point: 160 ℃ · 160℃
Boiling point: 400 · 400.0±25.0 °C(Predicted)
Density: 1.225 · 1.225
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 11.82 · 11.82±0.10(Predicted)
Appearance: Off-white to light brown Solid
InChI: 1S/C9H11N3/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6,10H2,(H,11,12)
InChIKey: GJEPMYMUORZPMP-UHFFFAOYSA-N
UNSPSC Code: 12352200 · 12352200
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.