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Benzenamine, 4-Methyl-, Hydrochloride (1:1)

CAS: 540-23-8 | C7H10ClN

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 540-23-8
Molecular Formula: C7H10ClN
Molecular Weight: 143.61700000000002 g/mol

Names and Synonyms:

Benzenamine, 4-Methyl-, Hydrochloride (1:1)
4-Methylbenzenamine hydrochloride
4-Methylphenylammonium chloride
p-Methylaniline hydrochloride
4-Methylanilinium chloride
p-Methylanilinium chloride
4-Aminotoluene hydrochloride
p-Toluidinium chloride
4-Methylaniline hydrochloride
Benzenamine, 4-methyl-, hydrochloride
p-Toluidine, hydrochloride
Benzenamine, 4-methyl-, hydrochloride (1:1)

Identifiers:

SMILES:
Cc1ccc(N)cc1.Cl
InChI:
InChI=1S/C7H9N.ClH/c1-6-2-4-7(8)5-3-6;/h2-5H,8H2,1H3;1H

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 143.61700000000002 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 143.050177 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 9 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 1 count RDKit
Hydrogen Bond Donors 1 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 0 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 1 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 26.02 Ų RDKit

Physical Properties

Property Value Source
LogP 1.9990200000000002 RDKit
molecular_mass 143.62 g/mol Legacy Database
density 1.19 g/cm³ Legacy Database
cas-canonical-smile Cl.NC1=CC=C(C=C1)C None Legacy Database
cas-density 1.193 g/cm3 None Legacy Database
cas-inchi InChI=1S/C7H9N.ClH/c1-6-2-4-7(8)5-3-6;/h2-5H,8H2,1H3;1H None Legacy Database
cas-inchi-key InChIKey=JQKBUTDZZRGQDR-UHFFFAOYSA-N None Legacy Database
cas-melting-point 243 °C None Legacy Database
cas-name Benzenamine, 4-methyl-, hydrochloride (1:1) None Legacy Database

Molar

Property Value Source
Molar Refractivity 42.83940000000002 RDKit

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