AG003UIT

134575-17-0 | tert-Butyl (1R,5S,6s)-3-azabicyclo[3.1.0]hexan-6-ylcarbamate

AG003UIT

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CAS Number	134575-17-0
Catalog Number	AG003UIT(AGN-PC-0PKC6U)
Chemical Name	tert-Butyl (1R,5S,6s)-3-azabicyclo[3.1.0]hexan-6-ylcarbamate
IUPAC Name	tert-butyl N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
InChI	InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-8-6-4-11-5-7(6)8/h6-8,11H,4-5H2,1-3H3,(H,12,13)/t6-,7+,8?
InChI Key	QIYOMZXJQAKHEK-DHBOJHSNSA-N
MDL Number	MFCD12198677
Molecular Formula	C10H18N2O2
Molecular Weight	198.2621
SMILES	O=C(OC(C)(C)C)N[C@@H]1[C@@H]2[C@H]1CNC2
Synonyms	134575-17-0, tert-butyl (1R,5S,6r)-3-azabicyclo[3.1.0]hexan-6-ylcarbamate, 134677-60-4, exo-6-(Boc-amino)-3-azabicyclo[3.1.0]hexane, TERT-BUTYL N-[(1S,5R)-3-AZABICYCLO[3.1.0]HEXAN-6-YL]CARBAMATE, tert-Butyl (1R,5S,6s)-3-azabicyclo[3.1.0]hexan-6-ylcarbamate, tert-butyl N-[exo-3-azabicyclo[3.1.0]hexan-6-yl]carbamate, Cis-tert-Butyl 3-aza-bicyclo[3.1.0]hexan-6-ylcarbamate, CP-101537, SCHEMBL523501, SCHEMBL523528, tert-butyl N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate, CS-WAA0044, SCHEMBL9470001, HMS3262I08, tert-Butyl (1R,5S)-3-azabicyclo[3.1.0]hex-6-ylcarbamate, Tox21_500763, 6232AA, MFCD12198677, ZINC38283543, AKOS006345329, AKOS016005752, AKOS025311339, ZINC100044550, ZINC100052663, CCG-222067, CS-W004230, CS-W022963, FCH3651401, OR52666, PB35954, RP07296, SB10057, SB10391, NCGC00261448-01, AJ-94920, AK-75894, AM806031, AM806032, AS-33410, CS-13091, SC-70412, AB1011694, ST1080487, Y7448, C-8237, CP-101537, >=98% (HPLC), W-205445, tert-butyl N-[(1R,5S,6S)-3-azabicyclo[3.1.0]hexan-6-, (3-Aza-bicyclo[3.1.0]hex-6-yl)-carbamicacidtert-butylester, tert-butyl (1R,5S,6s)-3-azabicyclo[3.1.0]hex-6-ylcarbamate, tert-butyl N-[endo-3-azabicyclo[3.1.0]hexan-6-yl]carbamate, rel-tert-Butyl (1R,5S,6s)-3-azabicyclo[3.1.0]hexan-6-ylcarbamate, tert-butyl ((1R,5S,6s)-3-azabicyclo[3.1.0]hexan-6-yl)carbamate, tert-Butyl (1R,5S)-3-azabicyclo[3.1.0]hex-6-ylcarbamate, AldrichCPR, tert-butyl N-[(1R,5S,6R)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate, N-[(1alpha,5alpha)-3-Azabicyclo[3.1.0]hexan-6alpha-yl]carbamic acid tert-butyl ester, null, yl]carbamate, QIYOMZXJQAKHEK-DHBOJHSNSA-N, C10H18N2O2, CID11127248, Tert-butyl N-(3-azabicyclo[3.1.0]hex-6-yl)carbamate, tert-butyl (1r,5s)-3-azabicyclo(3.1.0)hex-6-ylcarbamate, (3-AZA-BICYCLO[3.1.0]HEX-6-YL)-CARBAMIC ACID TERT-BUTYL ESTER, Carbamic acid, 3-azabicyclo[3.1.0]hex-6-yl-, 1,1-dimethylethyl ester,, Carbamicacid, -3-azabicyclo[3.1.0]hex-6-yl-,1,1-dimethylethylester, Carbamic acid, (1alpha,5alpha,6beta)-3-azabicyclo[3.1.0]hex-6-yl-, 1,1-dimethylethyl ester,

Complexity	237
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	198.137g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	198.266g/mol
Monoisotopic Mass	198.137g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	50.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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