53767-59-2
BICYCLO[3.1.1]HEPTAN-2-AMINE, 6,6-DIMETHYL-, (1ALPHA,2BETA,5ALPHA)-
NameBICYCLO[3.1.1]HEPTAN-2-AMINE, 6,6-DIMETHYL-, (1ALPHA,2BETA,5ALPHA)-
1Identification
【Name】
BICYCLO[3.1.1]HEPTAN-2-AMINE, 6,6-DIMETHYL-, (1ALPHA,2BETA,5ALPHA)-
【CAS】
【MDL】
MFCD17019482
【English Synonyms】
【Formula】
C9 H17 N
【MolWeight】
139.24
【Inchi】
InChI=1S/C9H17N/c1-9(2)6-3-4-8(10)7(9)5-6/h6-8H,3-5,10H2,1-2H3/t6-,7-,8+/m0/s1
【InChIKey】
InChIKey=VFQYFRUGGATHGJ-BIIVOSGPSA-N
【SMILES】
CC1([C@H]2CC[C@H]([C@@H]1C2)N)C
【MOL File】
BICYCLO[3.1.1]HEPTAN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:1
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BICYCLO[3.1.1]HEPTAN-2-AMINE, 6,6-DIMETHYL-, (1ALPHA,2BETA,5ALPHA)-.cml