126999-37-9
5-BROMONICOTINIC ACID, BETA-(N-METHYL-N-(ADAMANT-1-YL)AMINO)ETHYL ESTER HYDROCHLORIDE
Name5-BROMONICOTINIC ACID, BETA-(N-METHYL-N-(ADAMANT-1-YL)AMINO)ETHYL ESTER HYDROCHLORIDE
FormulaC19 H25 Br N2 O2 . Cl H
1Identification
【Name】
5-BROMONICOTINIC ACID, BETA-(N-METHYL-N-(ADAMANT-1-YL)AMINO)ETHYL ESTER HYDROCHLORIDE
【CAS】
【MDL】
MFCD01692160
【English Synonyms】
【Formula】
C19 H25 Br N2 O2 . Cl H
【MolWeight】
429.783
【Inchi】
InChI=1S/C19H25BrN2O2.ClH/c1-22(2-3-24-18(23)16-7-17(20)12-21-11-16)19-8-13-4-14(9-19)6-15(5-13)10-19;/h7,11-15H,2-6,8-10H2,1H3;1H/t13-,14+,15-,19-;
【InChIKey】
InChIKey=NFMMYTRGFGSEJU-XTNUEGPSSA-N
【SMILES】
CN(CCOC(=O)c1cc(cnc1)Br)[C@]23C[C@@H]4C[C@H](C2)C[C@@H](C4)C3.Cl
【MOL File】
5-BROMONICOTINIC ACI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-BROMONICOTINIC ACID, BETA-(N-METHYL-N-(ADAMANT-1-YL)AMINO)ETHYL ESTER HYDROCHLORIDE.cml