2-Methyl-N-phenylaniline

CAT: 0127-OR54435-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR54435-01Size:250 mg

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CAS Number

1205-39-6

MDL Number

MFCD01318642

Purity

97%

Smiles

Cc1ccccc1Nc2ccccc2

Chemical Information

2-Methyl-N-phenylaniline

CAS Number	1205-39-6
PubChem CID	10986946
IUPAC Name	2-methyl-N-phenylaniline
Molecular Formula	C13H13N
Molecular Weight	183.25
XLogP	3.7
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	161

SMILES

CC1=CC=CC=C1NC2=CC=CC=C2

InChI

InChI=1S/C13H13N/c1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12/h2-10,14H,1H3

InChIKey

JTMODJXOTWYBOZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1205-39-6

CID: 10986946

Formula: C13H13N

MW: 183.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	183.25
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	183.104799419
Monoisotopic Mass	183.104799419
Topological Polar Surface Area	12 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	161
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
OR1096196	5-Methyl-2-phenylaniline
OR1093826-01	4-iodo-N-methyl-N-phenylaniline
OR1098749-01	N-benzyl-3-methyl-N-phenylaniline
OR1098079-01	4-bromo-N-methyl-N-phenylaniline
OR79469-01	2-Bromo-N-phenylaniline
OR80654-01	2,4-Dimethyl-N-phenylaniline
OR1014268-01	N-Benzyl-N-Phenylaniline
OR1024678-01	3-Chloro-N-Phenylaniline
OR92323-01	4- (Naphthalen-2-yl) -N-phenylaniline
OR1039940-01	4-Bromo-2-nitro-N-phenylaniline

Catalog	Name
IYB52174	N-Methyl-2-phenylaniline hydrochloride
FH TL 00K4-01	2-methyl-N- (2-methylphenyl) -N-phenylaniline
FH SE 0053-01	N-methyl-2- (2-nitrophenyl) -N-phenylaniline
DAA36581	N-Methyl-4-phenylaniline
IHB11408-01	2-Methoxy-4-methyl-N-phenylaniline
ECA14794-01	5-Methyl-2-phenylaniline
TRC-M356825-2.5G	4-Methyl-2-phenylaniline
LNA19016-01	4-Bromo-N-methyl-N-phenylaniline
FH SU 0022-01	2- (benzenesulfonyl) -N-phenylaniline
FH SU 0044-01	2-bromo-N-phenylaniline