AG000HCG

1159826-74-0 | 8-Azabicyclo[3.2.1]octane-3,8-dicarboxylic acid, 8-(1,1-dimethylethyl) ester

AG000HCG

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CAS Number	1159826-74-0
Catalog Number	AG000HCG(AGN-PC-01X63P)
Chemical Name	8-Azabicyclo[3.2.1]octane-3,8-dicarboxylic acid, 8-(1,1-dimethylethyl) ester
IUPAC Name	8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octane-3-carboxylic acid
InChI	InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-9-4-5-10(14)7-8(6-9)11(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)
InChI Key	HKXICUDOIXLKLJ-UHFFFAOYSA-N
MDL Number	MFCD22422702
Molecular Formula	C13H21NO4
Molecular Weight	255.3101
SMILES	C(=O)(OC(C)(C)C)N1C2CC(CC1CC2)C(=O)O
Synonyms	1159826-74-0, 8-(tert-Butoxycarbonyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid, N-Boc-8-Azabicyclo[3.2.1]octane-3-carboxylic acid, 8-Aza-bicyclo[3.2.1]octane-3,8-dicarboxylic acid 8-tert-butyl ester, 8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octane-3-carboxylic acid, exo-8-(tert-Butoxycarbonyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid, (1R,5S)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octane-3-carboxylic acid, HKXICUDOIXLKLJ-UHFFFAOYSA-N, 8-AZABICYCLO[3.2.1]OCTANE-3,8-DICARBOXYLIC ACID, 8-(1,1-DIMETHYLETHYL) ESTER, SCHEMBL797177, CTK8C4216, DTXSID40594271, ACT07523, KS-00001A7R, ANW-71280, MFCD12068415, AKOS015841211, AM802975, AS-37157, AB0075599, TC-071580, CS-0078631, X-2912, S12-0100, I14-12348, I14-15266, 8-Azabicyclo[3.2.1]octane-3,8-dicarboxylic acid,8-(1,1-dimethylethyl) ester, N-Boc-8-Azabicyclic[3.2.1]Octane-3-carboxylic aicd, 1222996-05-5, 280762-00-7, (3-endo)-8-(tert-Butoxycarbonyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid,

Complexity	347
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.147g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	255.314g/mol
Monoisotopic Mass	255.147g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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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