AG00BZJD

39622-79-2 | 2-Aminoisophthalic acid

AG00BZJD

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CAS Number	39622-79-2
Catalog Number	AG00BZJD(AGN-PC-0JPCZ5)
Chemical Name	2-Aminoisophthalic acid
IUPAC Name	2-aminobenzene-1,3-dicarboxylic acid
InChI	InChI=1S/C8H7NO4/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)
InChI Key	LDOMKUVUXZRECL-UHFFFAOYSA-N
MDL Number	MFCD00817808
Molecular Formula	C8H7NO4
Molecular Weight	181.1455
NSC Number	159117
SMILES	O=C(O)C1=CC=CC(C(O)=O)=C1N
Synonyms	2-aminoisophthalic acid, 39622-79-2, 2-aminobenzene-1,3-dicarboxylic acid, 2-aminoisophthalicacid, 2,6-Dicarboxy aniline, 1,3-BENZENEDICARBOXYLIC ACID, 2-AMINO-, 39622-79-2 2-aminoisophthalic acid, aminoisophthalic acid, NSC159117, 2,6-Dicarboxyaniline, o-aminoisophthalic acid, 2-amino-isophthalic acid, AC1Q1GX8, KSC224A7T, SCHEMBL526919, AC1L6J10, CTK1C4079, DTXSID70303575, LDOMKUVUXZRECL-UHFFFAOYSA-N, WT003, WT379, ZINC153908, KS-00000CO6, ANW-47215, BBL100368, CL8021, FC1073, MFCD00817808, SBB089768, STL554162, AKOS000266750, AM83991, AS06165, CM13814, MB01489, NSC-159117, PS-8533, RP24223, RP24230, WT82198, AJ-13103, AK-32195, BR-32195, BR-51508, EN002807, SC-68066, SY013787, AB0065570, DB-010940, ST2416457, TR-015828, 4CH-014664, CS-0008233, FT-0644576, FT-0676506, MFCD00817808 (95%), C-5847, [1-(2,6-dimethoxybenzyl)piperidin-4-yl]methylamine, J-508048, S01-0734, W-202635, Z1741964926, 2-aminoiophthalic acid, 2-aminoiophthalicacid, 397245-00-0, AR-1D8836, CID292916, ACN-050298, 1-(2,6-dimethoxybenzyl)-n-methylpiperidin-4-amine, 1-(2,6-Dimethoxybenzyl)-N-methylpiperidine-4-amine, 4-amino-1-(2,6-dimethoxybenzyl)-n-methylpiperidine, 1-[(2,6-dimethoxyphenyl)methyl]-N-methylpiperidin-4-amine, 4004-68-6,

Complexity	206
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.038g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	181.147g/mol
Monoisotopic Mass	181.038g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	101A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number