AG000209

100445-96-3 | Phenol, 3-amino-2,4-dimethyl-

AG000209

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CAS Number	100445-96-3
Catalog Number	AG000209(AGN-PC-000KIF)
Chemical Name	Phenol, 3-amino-2,4-dimethyl-
IUPAC Name	3-amino-2,4-dimethylphenol
InChI	InChI=1S/C8H11NO/c1-5-3-4-7(10)6(2)8(5)9/h3-4,10H,9H2,1-2H3
InChI Key	OENOTFKJTIJFDN-UHFFFAOYSA-N
MDL Number	MFCD14706041
Molecular Formula	C8H11NO
Molecular Weight	137.1790
SMILES	NC1=C(C)C=CC(O)=C1C
Synonyms	3-Amino-2,4-dimethylphenol, 100445-96-3, 3-Amino-2,4-xylenol, Phenol, 3-amino-2,4-dimethyl-, 3-Hydroxy-2,6-xylidine, Dimethyl-m-aminophenol, ACMC-20m3hl, 3-Amino-2,4-dimethyl-phenol, 2,6-Dimethyl-3-hydroxyaniline, SCHEMBL1233639, CTK0E0183, DTXSID50556345, OENOTFKJTIJFDN-UHFFFAOYSA-N, MFCD14706041, ZINC34235260, AKOS006340369, MCULE-6211772088, NE44176, FT-0662102, J-000136, Z1741785917,

Complexity	116
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	137.084g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	137.182g/mol
Monoisotopic Mass	137.084g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	46.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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