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137159-37-6 | 1H-Imidazole-5-carboxylic acid, 4-[(methylamino)methyl]-, ethyl ester
CAS No: 137159-37-6 Catalog No: AG0012VK MDL No:
Product Description
Catalog Number:
AG0012VK
Chemical Name:
1H-Imidazole-5-carboxylic acid, 4-[(methylamino)methyl]-, ethyl ester
CAS Number:
137159-37-6
Molecular Formula:
C8H13N3O2
Molecular Weight:
183.2077
IUPAC Name:
ethyl 5-(methylaminomethyl)-1H-imidazole-4-carboxylate
InChI:
InChI=1S/C8H13N3O2/c1-3-13-8(12)7-6(4-9-2)10-5-11-7/h5,9H,3-4H2,1-2H3,(H,10,11)
InChI Key:
VJSQEKXQGNSVLN-UHFFFAOYSA-N
SMILES:
CNCc1nc[nH]c1C(=O)OCC
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.101g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.211g/mol
Monoisotopic Mass:
183.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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