AG009AD0

14346-13-5 | 2,5-Diaminobenzonitrile

AG009AD0

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CAS Number	14346-13-5
Catalog Number	AG009AD0(AGN-PC-00NJ1I)
Chemical Name	2,5-Diaminobenzonitrile
IUPAC Name	2,5-diaminobenzonitrile
InChI	InChI=1S/C7H7N3/c8-4-5-3-6(9)1-2-7(5)10/h1-3H,9-10H2
InChI Key	YVXLBNXZXSWLIK-UHFFFAOYSA-N
MDL Number	MFCD00077966
Molecular Formula	C7H7N3
Molecular Weight	133.1506
SMILES	N#CC1=CC(N)=CC=C1N
Synonyms	2,5-Diaminobenzonitrile, 14346-13-5, 2-cyano-1,4-phenylenediamine, 2,5-diaminobenzenecarbonitrile, 2-Cyano-p-phenylenediamine, Benzonitrile,2,5-diamino-, 2-Cyano-1,4-diaminobenzene, SCHEMBL615129, CTK4C3654, KS-00000LMO, DTXSID50545810, YVXLBNXZXSWLIK-UHFFFAOYSA-N, 2,5-bis(azanyl)benzenecarbonitrile, ZINC5200429, MFCD00077966, SBB008419, AKOS003622221, FR-2025, MCULE-4512472463, AJ-53580, AK-45088, AS-13544, BC600193, I637, DB-020026, TR-005542, FT-0620007, ST50828317, 346D135, A808068, I14-42028, C7H7N3,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	133.064g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	133.154g/mol
Monoisotopic Mass	133.064g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	75.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number