AG00EJEO

57356-49-7 | N-Phenyl-2-Pyrimidinamine

AG00EJEO

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CAS Number	57356-49-7
Catalog Number	AG00EJEO(AGN-PC-0WAEOH)
Chemical Name	N-Phenyl-2-Pyrimidinamine
EC Number	611-509-8
IUPAC Name	N-phenylpyrimidin-2-amine
InChI	InChI=1S/C10H9N3/c1-2-5-9(6-3-1)13-10-11-7-4-8-12-10/h1-8H,(H,11,12,13)
InChI Key	XGXNTJHZPBRBHJ-UHFFFAOYSA-N
MDL Number	MFCD01646270
Molecular Formula	C10H9N3
Molecular Weight	171.1986
SMILES	C1(NC2=CC=CC=C2)=NC=CC=N1
Synonyms	57356-49-7, N-phenylpyrimidin-2-amine, N-phenyl-2-pyrimidinamine, 2-Anilinopyrimidine, 2-Anilinopyrirmidine, 2-(N-Anilino)pyrimidine, anilinopyrimidine, 2-(Phenylamino)pyrimidine, CHEMBL1650061, MFCD01646270, Phenyliminopyrimidin, 2-phenylaminopyrimidine, PubChem23552, SCHEMBL911, 2-Pyrimidinamine, N-phenyl-, KSC497S9P, CTK3J7997, DTXSID90469905, XGXNTJHZPBRBHJ-UHFFFAOYSA-N, ACT06630, ZINC6665770, BDBM50350909, AKOS006242256, CA-1738, CM14290, MCULE-8162084400, RP07359, RTR-038939, AJ-56562, BR-51553, SY031633, AB0006887, DB-072288, ST2407483, TR-038939, 4CH-018031, FT-0651865, X0168, MFCD01646270 (95%), S-3664, A831405, I03-0345, J-506511, Z54888538, C10H9N3, CID11643997,

Complexity	137
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.08g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	171.203g/mol
Monoisotopic Mass	171.08g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.8A^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-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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