AG00IKPM

1860028-20-1 | 2-Azabicyclo[2.2.1]heptane-2,6-dicarboxylic acid, 2-(1,1-dimethylethyl) ester

AG00IKPM

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CAS Number	1860028-20-1
Catalog Number	AG00IKPM(AGN-PC-0WNH1A)
Chemical Name	2-Azabicyclo[2.2.1]heptane-2,6-dicarboxylic acid, 2-(1,1-dimethylethyl) ester
IUPAC Name	2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-6-carboxylic acid
InChI	InChI=1S/C12H19NO4/c1-12(2,3)17-11(16)13-6-7-4-8(10(14)15)9(13)5-7/h7-9H,4-6H2,1-3H3,(H,14,15)
InChI Key	WQJNGLXEWNXGLB-UHFFFAOYSA-N
MDL Number	MFCD30146472
Molecular Formula	C12H19NO4
Molecular Weight	241.2836
SMILES	C(=O)(OC(C)(C)C)N1C2C(C(=O)O)CC(C1)C2
Synonyms	2-Aza-bicyclo[2.2.1]heptane-2,6-dicarboxylic acid 2-tert-butyl ester, 1860028-20-1, endo-2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.2.1]heptane-6-carboxylic acid, exo-2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.2.1]heptane-6-carboxylic acid, KS-000007WV, MFCD30146472, AKOS030628538, AS-53006, CS-0052045, 2-Boc-2-azabicyclo[2.2.1]heptane-6-carboxylic acid, 2-Aza-bicyclo[2.2.1]heptane-2,6-dicarboxylic acid 2-t-butyl ester, N/A, na,

Complexity	347
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.131g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	241.287g/mol
Monoisotopic Mass	241.131g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	3
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	\N

Certificate of Analysis

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