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ethyl 4-amino-1-methylimidazole-2-carboxylate hydrochloride

ethyl 4-amino-1-methylimidazole-2-carboxylate hydrochloride

CAS: 180258-46-2

Formula: C7H12ClN3O2

SMILES: Cl[H].CCOC(=O)C1=NC(N)=CN1C

IUPAC: ethyl 4-amino-1-methyl-1H-imidazole-2-carboxylate hydrochloride

InChI: InChI=1S/C7H11N3O2.ClH/c1-3-12-7(11)6-9-5(8)4-10(6)2;/h4H,3,8H2,1-2H3;1H

Composition: C (40.89%), H (5.88%), Cl (17.24%), N (20.43%), O (15.56%)

Molar Mass: 205.64

Atom Count: 25

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 205.0618043
Formal Charge 0
FSP3 0.43
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey CQRVNNMJJDJXPE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.17
Topological Polar Surface Area 70.14
Polarizability 16.38
Ring Count 1
Rotatable Bond Count 3

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