AG00IA3E

565456-77-1 | 3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 6,6-dimethyl-, methylester, hydrochloride, (1R,2S,5S)-

AG00IA3E

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CAS Number	565456-77-1
Catalog Number	AG00IA3E(AGN-PC-0SLXHH)
Chemical Name	3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 6,6-dimethyl-, methylester, hydrochloride, (1R,2S,5S)-
IUPAC Name	methyl (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride
InChI	InChI=1S/C9H15NO2.ClH/c1-9(2)5-4-10-7(6(5)9)8(11)12-3;/h5-7,10H,4H2,1-3H3;1H/t5-,6-,7-;/m0./s1
InChI Key	FKVUDBWXNAFSPB-MKXDVQRUSA-N
MDL Number	MFCD11865137
Molecular Formula	C9H16ClNO2
Molecular Weight	205.6818
SMILES	O=C([C@@H]1[C@@]2([H])C(C)(C)[C@@]2([H])CN1)OC.[H]Cl
Synonyms	565456-77-1, (1R,2S,5S)-6,6-DIMETHYL-3-AZA-BICYCLO[3.1.0]HEXANE-2-CARBOXYLIC ACID METHYL ESTER HYDROCHLORIDE, 848777-68-4, (1R,2S,5S)-Methyl 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate hydrochloride, METHYL (1R,2S,5S)-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEXANE-2-CARBOXYLATE HYDROCHLORIDE, (1r,2s,5s)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid methyl ester hydrochloride, Methyl (1R,2S,5S)-6,6-dimethyl-3-azabicyclo-[3.1.0]hexane-2-carboxylate hydrochloride, Methyl (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate HCl, SCHEMBL680110, CTK8E2585, FKVUDBWXNAFSPB-MKXDVQRUSA-N, (1R,2S,5S)-6,6-DIMETHYL-3-AZA-BICYCLO[3.1.0]HEXANE, BCP07588, CS-B0867, MFCD11865137, AKOS024463943, PB10958, RP26197, SB20071, AC-25850, AK162478, AS-50848, SC-51713, AX8294705, ST1080442, TX-015572, Q-4469, J-500330, methyl 6,6-dimethyl-3-(1R,2S,5S)-azabicyclo[3.1.0]hexane-2-carboxylate, methyl (1S,4S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxylate hydrochloride, (1R,2S,5S)-6,6-DIMETHYL-3-AZA-BICYCLO[3.1.0]HEXANE-2-CARBOXYLIC ACID METHYL ESTER HYDROCHL ORIDE, (1R,2S,5S)-METHYL-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEXANE-2-CARBOXYLATE HYDROCHLORIDE, 3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 6,6-dimethyl-, methyl ester, hydrochloride, (1R,2S,5S)-, 3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 6,6-dimethyl-, methyl ester,Hydrochloride, (1R,2S,5S)- (9CI), CS-T-19975, CID11229498, Methyl (1S,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate Hydrochloride, 3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 6,6-dimethyl-, methyl ester, (Hydrochloride), (1R,2S,5S)- (9CI), 672325-23-4,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	205.087g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	205.682g/mol
Monoisotopic Mass	205.087g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number