CAS 5739-10-6 2-(1H-imidazol-1-yl)ethanamine (HCID 430667)

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Basic information

CAS: 5739-10-6
Standard SMILES: NCCn1ccnc1
InChIKey: YCIRHAGYEUJTFH-UHFFFAOYSA-N
Molecular formula: C5H9N3
Average molar mass: 111.15 g/mol
Monoisotopic mass: 111.07964729

Names & identifiers

Preferred name: 2-(1H-imidazol-1-yl)ethanamine
IUPAC: 2-imidazol-1-ylethanamine
English name: 2-(1H-Imidazol-1-yl)ethanamine
Molecular formula: C5H9N3
Molecular weight: 111.15

Names & synonyms

2-(1H-Imidazol-1-yl)ethanamineRefChem:451399815-875-15739-10-61H-Imidazole-1-ethanamine2-Imidazol-1-yl-ethylamine2-(1H-imidazol-1-yl)ethan-1-amine2-imidazol-1-ylethanamine1-(2-aminoethyl)imidazoleMFCD030930422-imidazolylethylamine[2-(1H-IMIDAZOL-1-YL)ETHYL]AMINE

Show more names

2-ethyl imidazoleamineN-(2-Aminoethyl)imidazole1H-Imidazole-1-ethanamine 2HCl2-Imidazol-1-yl-ethylamine15002-IMIDAZOL-1-YL-ETHYLAMINE 2HCL1H-Imidazole-1-ethanamine (9CI, ACI)2-IMIDAZOL-1-YL-ETHYLAMINE DIHYDROCHLORIDE

1H-Imidazole-1-ethanamine, dihydrochloride2-(1-Imidazolyl)ethylamine Dihydrochlorideb-imidazolylethylamineN-(2-aminoethyl)-imidazole2-(imidazol-1-yl)ethylamineSCHEMBL311448SCHEMBL2385983SCHEMBL2884166

Database identifiers

CAS: 5739-10-6
PubChem CID: 430667
DTXSID: DTXSID70972881
EC Number: 815-875-1
Nikkaji: J2.960.241G

Properties

Computed structural properties

XLogP: -1
Topological polar surface area: 43.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 64.7

Physicochemical properties

Boiling point: 283 ℃ · 283℃
Density: 1.15 · 1.15
Flash point: 125 ℃ · 125℃
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 7.51 · 7.51±0.10(Predicted)
Appearance: Colorless to light yellow Liquid
InChI: InChI=1S/C5H9N3/c6-1-3-8-4-2-7-5-8/h2,4-5H,1,3,6H2
InChIKey: YCIRHAGYEUJTFH-UHFFFAOYSA-N
SMILES: C1N(CCN)C=CN=1
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P305+P351+P338-P310
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS05
hazard_class: IRRITANT
Hazard statements: H314
Precautionary statements: P280-P305+P351+P338-P310

Chemistry & industry

Applications

Uses2-(1H-Imidazol-1-yl)ethanamine is an intermediate for the preparation of selective tumor inhibitor bis(nitroimidazolyl)alkanecarboxamide hypoxia.