725237-73-0
1H-BENZIMIDAZOLE-1-CARBOXYLIC ACID, 5-(AMINOMETHYL)-, 1,1-DIMETHYLETHYL ESTER
Name1H-BENZIMIDAZOLE-1-CARBOXYLIC ACID, 5-(AMINOMETHYL)-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1H-BENZIMIDAZOLE-1-CARBOXYLIC ACID, 5-(AMINOMETHYL)-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD13182509
【English Synonyms】
【Formula】
C13 H17 N3 O2
【MolWeight】
247.296
【Inchi】
InChI=1S/C13H17N3O2/c1-13(2,3)18-12(17)16-8-15-10-6-9(7-14)4-5-11(10)16/h4-6,8H,7,14H2,1-3H3
【InChIKey】
InChIKey=BBWMGEPWHWJJAR-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)n1cnc2c1ccc(c2)CN
【MOL File】
1H-BENZIMIDAZOLE-1-C….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-BENZIMIDAZOLE-1-CARBOXYLIC ACID, 5-(AMINOMETHYL)-, 1,1-DIMETHYLETHYL ESTER.cml