AG00723X

13595-17-0 | 4-Aminobicyclo[2.2.2]octane-1-carboxylic acid

AG00723X

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CAS Number	13595-17-0
Catalog Number	AG00723X(AGN-PC-0KOYWM)
Chemical Name	4-Aminobicyclo[2.2.2]octane-1-carboxylic acid
IUPAC Name	4-aminobicyclo[2.2.2]octane-1-carboxylic acid
InChI	InChI=1S/C9H15NO2/c10-9-4-1-8(2-5-9,3-6-9)7(11)12/h1-6,10H2,(H,11,12)
InChI Key	ITNWSEKOBRDGLY-UHFFFAOYSA-N
MDL Number	MFCD20640191
Molecular Formula	C9H15NO2
Molecular Weight	169.2209
SMILES	NC12CCC(CC1)(CC2)C(O)=O
Synonyms	4-aminobicyclo(2,2,2)octane-1-carboxylic acid, 4-aminobicyclo[2.2.2]octane-1-carboxylic acid, 13595-17-0, 4-Aminobicyclo(2,2,2)octane-1-carboxylic acid, Bicyclo[2.2.2]octane-1-carboxylic acid, 4-amino-, Bicyclo(2.2.2)octane-1-carboxylic acid, 4-amino-, AC1MIVIR, SCHEMBL8180378, CTK0I0341, DTXSID80159601, ANW-59029, MFCD20640191, ZINC33902379, AKOS006324090, AKOS016002151, AJ-86430, DA-18927, 1-aminobicyclo[2.2.2]octane-4-carboxylic, TC-147774, FT-0713355, X5549, 4-amino-Bicyclo[2.2.2]octane-1-carboxylic acid, Bicyclo[2.2.2]octane-1-carboxylicacid, 4-amino-, A1-09013, F2147-3033, 4-aminobicyclo[2.2.2]octane-1-carboxylic acid, hydrochloride, C9H15NO2, Cid 3080693, C9-H15-N-O2, CID3080693, 4-Aminobicyclo[2.2.2]octane-1-carboxylicacid,

Complexity	200
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	2
Isotope Atom Count	0
Molecular Weight	169.224g/mol
Monoisotopic Mass	169.11g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2.1

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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