AG000NEK

1252672-38-0 | Bicyclo[2.2.1]heptane-1-carboxylic acid, 4-amino-, methyl ester

AG000NEK

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CAS Number	1252672-38-0
Catalog Number	AG000NEK(AGN-PC-0WBSIX)
Chemical Name	Bicyclo[2.2.1]heptane-1-carboxylic acid, 4-amino-, methyl ester
IUPAC Name	methyl 4-aminobicyclo[2.2.1]heptane-1-carboxylate
InChI	InChI=1S/C9H15NO2/c1-12-7(11)8-2-4-9(10,6-8)5-3-8/h2-6,10H2,1H3
InChI Key	SLVBGSLDDDRHKZ-UHFFFAOYSA-N
MDL Number	MFCD20727001
Molecular Formula	C9H15NO2
Molecular Weight	169.2209
SMILES	COC(=O)C12CCC(N)(CC1)C2
Synonyms	methyl 4-aminobicyclo[2.2.1]heptane-1-carboxylate, 1252672-38-0, SCHEMBL2827416, KS-000005OD, MFCD20727001, AKOS023778971, ZINC108287976, FCH1309713, SB13281, AK171291, AS-51521, CS-0049055, FT-0731184, Bicyclo[2.2.1]heptane-1-carboxylic acid, 4-amino-, methyl ester, 4-amino-Bicyclo[2.2.1]heptane-1-carboxylic acid methyl ester,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.11g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	169.224g/mol
Monoisotopic Mass	169.11g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

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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