3-Hydroxy-4'-methyldiphenylamine

CAT: 0024-sc-266683Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-266683Size:500 mg

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CAS Number

61537-49-3

Chemical Information

m-(p-Toluidino)phenol

CAS Number	61537-49-3
PubChem CID	109096
IUPAC Name	3-(4-methylanilino)phenol
Molecular Formula	C13H13NO
Molecular Weight	199.25
XLogP	3.5
Topological Polar Surface Area	32.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	187

SMILES

CC1=CC=C(C=C1)NC2=CC(=CC=C2)O

InChI

InChI=1S/C13H13NO/c1-10-5-7-11(8-6-10)14-12-3-2-4-13(15)9-12/h2-9,14-15H,1H3

InChIKey

TWYLNUMRYUFZIN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 61537-49-3

CID: 109096

Formula: C13H13NO

MW: 199.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	199.25
XLogP3	3.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	199.099714038
Monoisotopic Mass	199.099714038
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	187
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-277526	4-Methyldiphenylamine
sc-226155	3-Methyldiphenylamine
sc-487890	4-Methoxy-4'-methyldiphenylamine
sc-487885	4-Methoxy-2-methyldiphenylamine
sc-236071	N-Methyldiphenylamine
sc-485575	2-Fluoro-5-methyldiphenylamine
sc-335786	3-Hydroxy-4-nitrobenzonitrile
sc-232176	3'-Hydroxy-4'-methoxyacetophenone
sc-488599	4-Hydroxy-3-quinolinemethanol
sc-232757	4-Hydroxy-3-methoxycinnamaldehyde

Catalog	Name
33	4-methyldiphenylamine
abx183437-01	3-Methyldiphenylamine
M16240-01	N-Methyldiphenylamine
OR1011584-01	4-Methoxy-2-Methyldiphenylamine
452074-01	Hydroxy-4-androstenone (Mixture of α-β 3-Hydroxy)
FH67335-01	4'-Hydroxy-3,4-methylenedioxychalcone
HY-N1743	1- (4-Hydroxy-2-methoxyphenyl) -3- (4-hydroxy-3-prenylphenyl)
PC5462-01	3-Hydroxy-4,4,4-trifluorobutyramide
FH74153-01	4-Hydroxy-3-methoxycinnamaldehyde
FH70521-01	3-Hydroxy-4-methylbenzaldehyde