AG00I85T

419572-19-3 | tert-Butyl exo-6-formyl-3-azabicyclo[3.1.0]hexane-3-carboxylate

AG00I85T

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CAS Number	419572-19-3
Catalog Number	AG00I85T(AGN-PC-0WB5XN)
Chemical Name	tert-Butyl exo-6-formyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
IUPAC Name	tert-butyl (1R,5S)-6-formyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
InChI	InChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-4-7-8(5-12)9(7)6-13/h6-9H,4-5H2,1-3H3/t7-,8+,9?
InChI Key	NZZFUILVSGRYMR-JVHMLUBASA-N
MDL Number	MFCD18782860
Molecular Formula	C11H17NO3
Molecular Weight	211.2576
SMILES	CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C=O
Synonyms	419572-19-3, exo-3-Boc-3-azabicyclo[3.1.0]hexane-6-carbaldehyde, (1R,5S,6R)-TERT-BUTYL 6-FORMYL-3-AZABICYCLO[3.1.0]HEXANE-3-CARBOXYLATE, 1246025-64-8, tert-butyl exo-6-formyl-3-azabicyclo[3.1.0]hexane-3-carboxylate, (1R,5S,6s)-tert-butyl 6-formyl-3-azabicyclo[3.1.0]hexane-3-carboxylate, SCHEMBL6105312, SCHEMBL15077541, NZZFUILVSGRYMR-JVHMLUBASA-N, KS-000005KO, MFCD18782860, MFCD18782861, AKOS022185619, AKOS030254003, ZINC100153645, ZINC100295494, PB27198, AS-34184, SC-65626, AJ-116965, ST1080478, CS-0048096, CS-0078550, Q-5022, (1R,5S,6s)-tert-butyl 6-formyl-3-azabicyclo[3.1.0], (1R,5S)-tert-butyl 6-formyl-3-azabicyclo[3.1.0]hexane-3-carboxylate, t-Butyl rac-(1R,5S,6S)-6-formyl-3-azabicyclo[3.1.0]hexane-3-carboxylate, tert-butyl (1R,5S,6r)-6-formyl-3-azabicyclo[3.1.0]hexane-3-carboxylate, TERT-BUTYL (1R*,5S*,6R*)-6-FORMYL-3-AZABICYCLO[3.1.0]HEXANE-3-CARBOXYLATE, tert-butyl rac-(1R,5S,6r)-6-formyl-3-azabicyclo[3.1.0]hexane-3-carboxylate, tert-butyl rac-(1R,5S,6s)-6-formyl-3-azabicyclo[3.1.0]hexane-3-carboxylate, tert-butyl (1R,5S,6S)-rel-6-formyl-3-azabicyclo[3.1.0]hexane-3-carboxylate,

Complexity	283
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	211.121g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	211.261g/mol
Monoisotopic Mass	211.121g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number