146397-34-4
(3AR,7AR)-2-ETHYLOCTAHYDRO-1H-1,3-DINEOPENTYL-1,3,2-BENZODIAZAPHOSPHOLE OXIDE
Name(3AR,7AR)-2-ETHYLOCTAHYDRO-1H-1,3-DINEOPENTYL-1,3,2-BENZODIAZAPHOSPHOLE OXIDE
1Identification
【Name】
(3AR,7AR)-2-ETHYLOCTAHYDRO-1H-1,3-DINEOPENTYL-1,3,2-BENZODIAZAPHOSPHOLE OXIDE
【CAS】
【MDL】
MFCD16876510
【English Synonyms】
【Formula】
C18 H37 N2 O P
【MolWeight】
328.477
【Inchi】
InChI=1S/C18H37N2OP/c1-8-22(21)19(13-17(2,3)4)15-11-9-10-12-16(15)20(22)14-18(5,6)7/h15-16H,8-14H2,1-7H3/t15-,16-/m1/s1
【InChIKey】
InChIKey=VZSXXXLOWAPROB-HZPDHXFCSA-N
【SMILES】
CCP1(=O)N([C@@H]2CCCC[C@H]2N1CC(C)(C)C)CC(C)(C)C
【MOL File】
(3AR,7AR)-2-ETHYLOCT….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(3AR,7AR)-2-ETHYLOCTAHYDRO-1H-1,3-DINEOPENTYL-1,3,2-BENZODIAZAPHOSPHOLE OXIDE.cml