AG00E930

610-74-2 | 2,5-Diaminobenzoic acid

AG00E930

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CAS Number	610-74-2
Catalog Number	AG00E930(AGN-PC-0JL8TN)
Chemical Name	2,5-Diaminobenzoic acid
IUPAC Name	2,5-diaminobenzoic acid
InChI	InChI=1S/C7H8N2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,8-9H2,(H,10,11)
InChI Key	UONVFNLDGRWLKF-UHFFFAOYSA-N
MDL Number	MFCD00127689
Molecular Formula	C7H8N2O2
Molecular Weight	152.1506
SMILES	NC1=CC(C(O)=O)=C(N)C=C1
Synonyms	2,5-diaminobenzoic acid, 2,5-Diaminobenzoic acid, 610-74-2, Benzoic acid, 2,5-diamino-, AC1Q5TOZ, 2,5-Diamino-benzoesaure, AC1L2B6D, 2,5-Diaminobenzoic acid #, Benzoic acid,2,5-diamino-, Oprea1_543934, SCHEMBL107833, CHEMBL1624409, DTXSID7060592, BDBM48866, CTK5B2658, cid_16195270, UONVFNLDGRWLKF-UHFFFAOYSA-N, ZINC4880181, 9139AB, ANW-71618, CD-562, KM0466, MFCD00127689, 2,5-diaminobenzoic acid;hydrochloride, AKOS000634418, VZ22696, NCGC00245525-01, AJ-52501, AK-77306, 2,5-bis(azanyl)benzoic acid;hydrochloride, TC-160363, D5357, FT-0717025, ST50272036, 2,3,6,7-TETRAHYDRO-PYRROLO[1,2-A]PYRAZINE-1,4-DIONE, 2,5-diaminobenzoicacid, MLS000716510, C7H8N2O2, C7-H8-N2-O2, CID69126, AR-1D4154, SMR000278027, 6268-28-6,

Complexity	161
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	152.059g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	152.153g/mol
Monoisotopic Mass	152.059g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	89.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319
Precuationary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Siginal words

Certificate of Analysis

Lot Number