AG003N5V

4316-98-7 | 6-Chloro-4,5-diaminopyrimidine

AG003N5V

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CAS Number	4316-98-7
Catalog Number	AG003N5V(AGN-PC-0JLR2V)
Chemical Name	6-Chloro-4,5-diaminopyrimidine
EC Number	224-341-1
IUPAC Name	6-chloropyrimidine-4,5-diamine
InChI	InChI=1S/C4H5ClN4/c5-3-2(6)4(7)9-1-8-3/h1H,6H2,(H2,7,8,9)
InChI Key	VNSFICAUILKARD-UHFFFAOYSA-N
MDL Number	MFCD00023270
Molecular Formula	C4H5ClN4
Molecular Weight	144.5623
NSC Number	36907
SMILES	Nc1c(Cl)ncnc1N
Synonyms	4316-98-7, 6-Chloropyrimidine-4,5-diamine, 6-Chloro-4,5-diaminopyrimidine, 4,5-Diamino-6-chloropyrimidine, 4,5-Pyrimidinediamine, 6-chloro-, 6-CHLORO-4,5-PYRIMIDINEDIAMINE, 6-Chloro-pyrimidine-4,5-diamine, Pyrimidine, 4,5-diamino-6-chloro-, 4-amino-6-chloropyrimidin-5-ylamine, 4-chloro-5,6-diaminopyrimidine, 6-chloro-4,5-diamino pyrimidine, 4-Amino-6-chloropyrimidin-5-yl-amine, NSC36907, EINECS 224-341-1, NSC 36907, 4, 6-chloro-, AI3-52215, AC1L2UAH, AC1Q3PZL, SCHEMBL783585, N-Methylglycine monosodium salt, DTXSID8063410, Pyrimidine,5-diamino-6-chloro-, CTK8B5865, VNSFICAUILKARD-UHFFFAOYSA-N, QC-84, ZINC967452, ACT04650, KS-00000A3M, ANW-50705, BBL104285, MFCD00023270, NSC-36907, STL558499, AKOS000320499, AB01351, CS-W002134, GS-5814, HP21449, MCULE-2995133306, RP20952, TRA0100818, 5,6-DIAMINO-4-CHLOROPYRIMIDINE, AJ-24502, AK-24914, BR-24914, CJ-04614, HC210513, SY009454, ZB015435, DB-050761, ST2412314, TR-016788, 4CH-013909, AM20100136, FT-0635227, W6264, S-5383, MFCD00023270 (97+%), 316C987, AG-670/32486004, J-518658, I14-11384, F2124-0097, InChI=1/C4H5ClN4/c5-3-2(6)4(7)9-1-8-3/h1H,6H2,(H2,7,8,9, C4H5ClN4, C4-H5-Cl-N4, CID78010, AR-1H1515, 4,5-Pyrimidinediamine, 6-chloro- (9CI), C3433, 4-Amino-6-chloropyrimidin-5-ylamine, 97% - 1G 1g, 4694-95-5,

Complexity	98.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	144.02g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	144.562g/mol
Monoisotopic Mass	144.02g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	77.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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