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3,4-dimethyl-N-phenylaniline

3,4-dimethyl-N-phenylaniline structure

CAS No:
17802-36-7
Formula:
C14H15N
Chemical Name:
3,4-dimethyl-N-phenylaniline
Synonyms:
N-phenyl-3,4-dimethylphenylamine; 3,4-dimethyl-N-phenyl-aniline; Phenyl(3,4-xylyl)amine; 3,4-dimethyldiphenylamine; N-Phenyl-3,4-xylidine;
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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3,4-dimethyl-N-phenylaniline Basic Attributes

Molecular Weight：

197.27600

Exact Mass：

197.120449483

DSSTox ID：

DTXSID70566087

HScode：

2921440000

Characteristics

PSA：

12.03000

XLogP3：

4.12000

Appearance：

White crystal

Density：

1.049 g/cm3

Melting Point：

57ºC

Boiling Point：

333.3ºC at 760 mmHg

Flash Point：

163.6ºC

Refractive Index：

1.611

Vapor Pressure：

0.000138mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:197.27
XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:197.120449483
Monoisotopic Mass:197.120449483
Topological Polar Surface Area:12
Heavy Atom Count:15
Complexity:184
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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