AG00IKQF

1427359-44-1 | tert-butyl 6-amino-3-azabicyclo[3.1.1]heptane-3-carboxylate

AG00IKQF

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CAS Number	1427359-44-1
Catalog Number	AG00IKQF(AGN-PC-0WD0OH)
Chemical Name	tert-butyl 6-amino-3-azabicyclo[3.1.1]heptane-3-carboxylate
IUPAC Name	tert-butyl 6-amino-3-azabicyclo[3.1.1]heptane-3-carboxylate
InChI	InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-5-7-4-8(6-13)9(7)12/h7-9H,4-6,12H2,1-3H3
InChI Key	DGXZHHKGGSODLS-UHFFFAOYSA-N
MDL Number	MFCD17168422
Molecular Formula	C11H20N2O2
Molecular Weight	212.2887
SMILES	O=C(N1CC(C2)C(N)C2C1)OC(C)(C)C
Synonyms	TERT-BUTYL 6-AMINO-3-AZABICYCLO[3.1.1]HEPTANE-3-CARBOXYLATE, 1427359-44-1, 1250997-08-0, 6-AMINO-3-AZA-BICYCLO[3.1.1]HEPTANE-3-CARBOXYLIC ACID TERT-BUTYL ESTER, exo-tert-butyl-6-amino-3-azabicyclo[3.1.1]heptane-3-carboxylate, tert-Butyl exo-6-amino-3-azabicyclo[3.1.1]heptane-3-carboxylate, KS-000004UV, MFCD17168422, AKOS025289535, PB11274, AS-42897, CS-0048167, Q-4177, (3-Boc)-6-amino-3-azabicyclo[3.1.1]heptane, 6-AMINO-3-AZA-3-BOC-BICYCLO[3.1.1]HEPTANE, DGXZHHKGGSODLS-UHFFFAOYSA-N, N/A,

Complexity	260
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.152g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	212.293g/mol
Monoisotopic Mass	212.152g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.6A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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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