AG00IDXJ

861519-29-1 | 5-Chloro-4-methylbenzene-1,3-diamine

AG00IDXJ

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CAS Number	861519-29-1
Catalog Number	AG00IDXJ(AGN-PC-0WANIL)
Chemical Name	5-Chloro-4-methylbenzene-1,3-diamine
IUPAC Name	5-chloro-4-methylbenzene-1,3-diamine
InChI	InChI=1S/C7H9ClN2/c1-4-6(8)2-5(9)3-7(4)10/h2-3H,9-10H2,1H3
InChI Key	VFALDCWSTKEUED-UHFFFAOYSA-N
MDL Number	MFCD11557587
Molecular Formula	C7H9ClN2
Molecular Weight	156.6128
SMILES	NC1=CC(Cl)=C(C)C(N)=C1
Synonyms	5-chloro-4-methylbenzene-1,3-diamine, 861519-29-1, chlorotoluenediamine, AK165555, SCHEMBL345827, KS-00000SUN, FCH895801, MFCD11557587, ZINC26508625, AKOS002391600, DS-9021, 5-Chloro-4-methyl-benzene-1,3-diamine, BB 0247007, 2160-21-6,

Complexity	118
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	156.045g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	156.613g/mol
Monoisotopic Mass	156.045g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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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