502133-49-5
4-(3-CARBOXY-PYRIDIN-2-YL)-[1,4]DIAZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Name4-(3-CARBOXY-PYRIDIN-2-YL)-[1,4]DIAZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1Identification
【Name】
4-(3-CARBOXY-PYRIDIN-2-YL)-[1,4]DIAZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD06245564
【English Synonyms】
【Formula】
C16 H23 N3 O4
【MolWeight】
321.375
【Inchi】
InChI=1S/C16H23N3O4/c1-16(2,3)23-15(22)19-9-5-8-18(10-11-19)13-12(14(20)21)6-4-7-17-13/h4,6-7H,5,8-11H2,1-3H3,(H,20,21)
【InChIKey】
InChIKey=VNNVAWDHPDFXLR-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCCN(CC1)c2c(cccn2)C(=O)O
【MOL File】
4-(3-CARBOXY-PYRIDIN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(3-CARBOXY-PYRIDIN-2-YL)-[1,4]DIAZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER.cml