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1313020-26-6 | 1H-Benzimidazole-2-butanoic acid, 5-amino-1-methyl-, 1-methylethyl ester
CAS No: 1313020-26-6 Catalog No: AG000VW3 MDL No:
Product Description
Catalog Number:
AG000VW3
Chemical Name:
1H-Benzimidazole-2-butanoic acid, 5-amino-1-methyl-, 1-methylethyl ester
CAS Number:
1313020-26-6
Molecular Formula:
C15H21N3O2
Molecular Weight:
275.3461
IUPAC Name:
propan-2-yl 4-(5-amino-1-methylbenzimidazol-2-yl)butanoate
InChI:
InChI=1S/C15H21N3O2/c1-10(2)20-15(19)6-4-5-14-17-12-9-11(16)7-8-13(12)18(14)3/h7-10H,4-6,16H2,1-3H3
InChI Key:
WNNXAWPAXNZYEF-UHFFFAOYSA-N
SMILES:
CC(OC(=O)CCCc1nc2c(n1C)ccc(c2)N)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.163g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.352g/mol
Monoisotopic Mass:
275.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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