AG003A82

134575-07-8 | ((1R,5S,6R)-3-Benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol

AG003A82

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CAS Number	134575-07-8
Catalog Number	AG003A82(AGN-PC-0PKC3N)
Chemical Name	((1R,5S,6R)-3-Benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol
IUPAC Name	[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
InChI	InChI=1S/C13H17NO/c15-9-13-11-7-14(8-12(11)13)6-10-4-2-1-3-5-10/h1-5,11-13,15H,6-9H2/t11-,12+,13?
InChI Key	NMJRXNUMGKZPHG-FUNVUKJBSA-N
MDL Number	MFCD16140332
Molecular Formula	C13H17NO
Molecular Weight	203.2802
SMILES	OC[C@@H]1[C@@]2([H])CN(CC3=CC=CC=C3)C[C@@]12[H]
Synonyms	134575-07-8, ((1R,5S,6R)-3-Benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol, exo-3-Benzyl-3-azabicyclo[3.1.0]hexane-6-methanol, [(1R,5S,6R)-3-BENZYL-3-AZABICYCLO[3.1.0]HEXAN-6-YL]METHANOL, [(1S,5R)-3-Benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol, AK-58272, ((1R,5S,6R)-3-benzyl-3-aza-bicyclo[3.1.0]hexan-6-yl)methanol, SCHEMBL3335710, SCHEMBL5793338, SCHEMBL15477204, DTXSID70468754, ((1R,5S,6s)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol, KS-000003KF, ZX-AT013023, MFCD16140332, SBB093169, AKOS005072221, AKOS025311343, ZINC100024349, ZINC100133255, CE-0223, FCH3522500, OR40298, PB33264, RP07668, SB10461, AJ-92162, AM805994, AX8206303, ST1080477, TX-012711, AM20020415, CS-0053837, Y7444, C-8542, W-205441, Z2207619228, [(1R,5S)-3-Benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol, [(1R,5S,6R)-3-Aza-3-benzylbicyclo[3.1.0]hex-6-yl]methanol, ((1R,5S,6R);-3-Benzyl-3-azabicyclo[3.1.0]hexan-6-yl);methanol, [(5S,1R)-3-benzyl-3-azabicyclo[3.1.0]hex-6-yl]methan-1-ol, (1alpha,5alpha)-3-Benzyl-3-azabicyclo[3.1.0]hexane-6alpha-methanol, [(1S,5R)-3-BENZYL-3-AZABICYCLO[3.1.0]HEXAN-6-YL]METHANOL[134575-07-8], C13H17NO, NMJRXNUMGKZPHG-FUNVUKJBSA-N, CID11571990, [(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hex-6-yl]methanol, 871727-08-1,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	203.131g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	203.285g/mol
Monoisotopic Mass	203.131g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	23.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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