AG00IKR3

827599-21-3 | Endo-3-Boc-3-Azabicyclo[3.1.0]Hexane-6-Methanol

AG00IKR3

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CAS Number	827599-21-3
Catalog Number	AG00IKR3(AGN-PC-0UN6I6)
Chemical Name	Endo-3-Boc-3-Azabicyclo[3.1.0]Hexane-6-Methanol
IUPAC Name	tert-butyl (1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
InChI	InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-4-7-8(5-12)9(7)6-13/h7-9,13H,4-6H2,1-3H3/t7-,8+,9?
InChI Key	JVIDPFGQYMFQDZ-JVHMLUBASA-N
MDL Number	MFCD18782859
Molecular Formula	C11H19NO3
Molecular Weight	213.2735
SMILES	CC(C)(C)OC(=O)N1C[C@H]2[C@@H](CO)[C@H]2C1
Synonyms	419572-18-2, EXO-3-BOC-3-AZABICYCLO[3.1.0]HEXANE-6-METHANOL, ENDO-3-BOC-3-AZABICYCLO[3.1.0]HEXANE-6-METHANOL, 827599-21-3, tert-butyl (1R,5S,6R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate, (1R,5S,6R)-TERT-BUTYL 6-(HYDROXYMETHYL)-3-AZABICYCLO[3.1.0]HEXANE-3-CARBOXYLATE, tert-Butyl (1S,5R)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate, AK144309, SCHEMBL5326154, SCHEMBL5326157, SCHEMBL5796688, DTXSID30677764, JVIDPFGQYMFQDZ-JVHMLUBASA-N, MFCD14525755, MFCD18782859, ZINC44830627, AKOS015949376, AKOS025311344, AKOS030231470, ZINC100123424, ZINC103522974, FCH4034331, HE-0233, PB13864, PB19383, RP07456, SB10462, (1R,5S,6S)-TERT-BUTYL 6-(HYDROXYMETHYL)-3-AZABICYCLO[3.1.0]HEXANE-3-CARBOXYLATE, AS-51338, AJ-110127, ST1080480, AM20100111, CS-0037149, CS-0049598, FT-0682034, Y9062, C-8396, Q-3132, J-524346, (Meso-1R,5S,6S)-Tert-Butyl 6-(Hydroxymethyl)-3-Azabicyclo[3.1.0]Hexane-3-Carboxylate, tert-Butyl (1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate, tert-butyl (1R,5S,6S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate, (1alpha,5alpha)-6beta-(Hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl ester, 3-Azabicyclo[3.1.0]hexane-3-carboxylic acid, 6-(hydroxymethyl)-,1,1-dimethylethyl ester, (1a,5a,6b)-, C11H19NO3, ACN-031572, tert-butyl 6-(hydroxymethyl)-3-aza-bicyclo[3.1.0]hexane-3-carboxylate, 850808-43-4,

Complexity	260
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	213.136g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	213.277g/mol
Monoisotopic Mass	213.136g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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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