C1=C(NC=N1)CCN
CAS: 51-45-6
Name: 2-(1H-imidazol-5-yl)ethanamine
SMILES: C1=C(NC=N1)CCN

Molecular Processing

Molecular formula
C5H9N3
Molecular weight
111.15
Exact mass
111.0796
XLogP
-0.09
TPSA
54.7
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
8
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
31.35

Supplementary Information

InChIKey: NTYJJOPFIAHURM-UHFFFAOYSA-N
Synonyms
histamine51-45-62-(1H-imidazol-5-yl)ethanamineErgamineErgotidine1H-Imidazole-4-ethanamine2-(4-Imidazolyl)ethylamineEramin5-ImidazoleethylamineTheramineFree histaminebeta-Aminoethylimidazole4-(2-Aminoethyl)-1H-imidazolebeta-AminoethylglyoxalineImidazole-4-ethylamine4-Imidazoleethylaminebeta-Imidazolyl-4-ethylamineImidazole, 4-(2-aminoethyl)-DTXSID4023125CHEBI:18295NSC-33792DTXCID103125820484N8I32-(3H-imidazol-4-yl)ethanamineNSC33792ALEROFFRefChem:5888200-100-62-(1H-Imidazol-4-yl)ethanamine2-(1H-imidazol-4-yl)ethan-1-amine
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