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Chemical Product CAS:84474-05-53-chloro-N-(2,3-dimethoxybenzyl)-4-methylaniline

CAS:84474-05-5
3-chloro-N-(2,3-dimethoxybenzyl)-4-methylaniline

  • CAS No:

    84474-05-5
  • Name:

    3-chloro-N-(2,3-dimethoxybenzyl)-4-methylaniline
  • Molecular Formula:

    C16H18ClNO2
  • Molecular Weight:

    291.7726
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3-chloro-N-(2,3-dimethoxybenzyl)-4-methylanil ( CASNO:84474-05-5 )

Identification and Related Records
Name:
3-chloro-N-(2,3-dimethoxybenzyl)-4-methylaniline
CAS Registry number:
84474-05-5
Iupac name:
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4-methylaniline
Synonyms:
3-chloro-n-(2,3-dimethoxybenzyl)-4-methylaniline
84474-05-5
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4-methylaniline
NSC159923
AC1Q3QSB
AC1L6K0I
AC1Q46G3
AR-1F2710
AKOS000225830
NSC-159923
Molecular Formula:
C16H18ClNO2
Molecular Weight:
291.7726
Inchi:
InChI=1/C16H18ClNO2/c1-11-7-8-13(9-14(11)17)18-10-12-5-4-6-15(19-2)16(12)20-3/h4-9,18H,10H2,1-3H3
Canonical SMILES:
CC1=C(C=C(C=C1)NCC2=C(C(=CC=C2)OC)OC)Cl
Chemical and Physical Properties
Density:
1.186g/cm3
Boiling Point:
407.6°C at 760 mmHg
Refractive Index:
1.594
Flash Point:
200.3°C
Computed Properties:
Molecular Weight:291.77262 [g/mol]
Molecular Formula:C16H18ClNO2
XLogP3-AA:4.3
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:5
Exact Mass:291.102607
MonoIsotopic Mass:291.102607
Topological Polar Surface Area:30.5
Heavy Atom Count:20
Formal Charge:0
Complexity:290
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
Feature 3D Acceptor Count:2
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:2
Effective Rotor Count:5
Conformer Sampling RMSD:0.8
CID Conformer Count:58
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