705949-01-5
(1R,2R,3S,5R)-2-AMINO-2,6,6-TRIMETHYL-BICYCLO[3.1.1]HEPTANE-3-CARBOXYLIC ACID METHYL ESTER HYDROCHLORIDE
Name(1R,2R,3S,5R)-2-AMINO-2,6,6-TRIMETHYL-BICYCLO[3.1.1]HEPTANE-3-CARBOXYLIC ACID METHYL ESTER HYDROCHLORIDE
pro_formulaC12 H21 N O2 . Cl H
1Identification
【Name】
(1R,2R,3S,5R)-2-AMINO-2,6,6-TRIMETHYL-BICYCLO[3.1.1]HEPTANE-3-CARBOXYLIC ACID METHYL ESTER HYDROCHLORIDE
【CAS】
【MDL】
MFCD05863644
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C12 H21 N O2 . Cl H
【pro_molWeight】
247.764
【Inchi】
InChI=1S/C12H21NO2.ClH/c1-11(2)7-5-8(10(14)15-4)12(3,13)9(11)6-7;/h7-9H,5-6,13H2,1-4H3;1H/t7-,8+,9+,12-;/m0./s1
【InChIKey】
InChIKey=NUODAUPGSKOFMC-DALHNCERSA-N
【SMILES】
CC1([C@H]2C[C@@H]([C@]([C@@H]1C2)(C)N)C(=O)OC)C.Cl
【MOL File】
(1R,2R,3S,5R)-2-AMIN….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:3
XLogP3:2.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
(1R,2R,3S,5R)-2-AMINO-2,6,6-TRIMETHYL-BICYCLO[3.1.1]HEPTANE-3-CARBOXYLIC ACID METHYL ESTER HYDROCHLORIDE.cml