852358-79-3
1(2H)-PYRIDINECARBOXYLIC ACID, 4-(AMINOMETHYL)-3,6-DIHYDRO-, ETHYL ESTER
Name1(2H)-PYRIDINECARBOXYLIC ACID, 4-(AMINOMETHYL)-3,6-DIHYDRO-, ETHYL ESTER
1Identification
【Name】
1(2H)-PYRIDINECARBOXYLIC ACID, 4-(AMINOMETHYL)-3,6-DIHYDRO-, ETHYL ESTER
【CAS】
【MDL】
MFCD16877984
【English Synonyms】
【Formula】
C9 H16 N2 O2
【MolWeight】
184.237
【Inchi】
InChI=1S/C9H16N2O2/c1-2-13-9(12)11-5-3-8(7-10)4-6-11/h3H,2,4-7,10H2,1H3
【InChIKey】
InChIKey=MZCDCLMVCVIIOO-UHFFFAOYSA-N
【SMILES】
CCOC(=O)N1CCC(=CC1)CN
【MOL File】
1(2H)-PYRIDINECARBOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1(2H)-PYRIDINECARBOXYLIC ACID, 4-(AMINOMETHYL)-3,6-DIHYDRO-, ETHYL ESTER.cml