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2-Chloro-N-Methylbenzenemethanamine
CAS: 94-64-4 | C8H10ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
94-64-4
Molecular Formula:
C8H10ClN
Molecular Mass:
155.63 g/mol
Names and Synonyms:
2-Chloro-N-Methylbenzenemethanamine
Benzenemethanamine, 2-chloro-N-methyl-
Benzylamine, o-chloro-N-methyl-
2-Chloro-N-methylbenzenemethanamine
o-Chloro-N-methylbenzylamine
2-Chloro-N-methylbenzylamine
N-Methyl-o-chlorobenzylamine
Methyl((2-chlorophenyl)methyl)amine
(2-Chlorobenzyl)methylamine
N-2-Chlorobenzylmethylamine
1-(2-Chlorophenyl)-N-methylmethanamine
N-Methyl-2-chlorobenzylamine
N-(2-Chlorobenzyl)-N-methylamine
[(2-Chlorophenyl)methyl](methyl)amine
Identifiers:
SMILES:
CNCc1ccccc1Cl
InChI:
InChI=1S/C8H10ClN/c1-10-6-7-4-2-3-5-8(7)9/h2-5,10H,6H2,1H3
Key Properties
Boiling Point
83-84 °C @ Press: 2 Torr
CAS Common Chemistry
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 |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 155.63 g/mol | CAS Common Chemistry |
| 155.62799999999996 g/mol | RDKit | |
| 155.050177 g/mol | RDKit | |
| Boiling Point | 83-84 °C @ Press: 2 Torr | CAS Common Chemistry |
| Canonical SMILES | ClC=1C=CC=CC1CNC | CAS Common Chemistry |
| InChI | InChI=1S/C8H10ClN/c1-10-6-7-4-2-3-5-8(7)9/h2-5,10H,6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DIWGZVQKFSFNLH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Chloro-N-methylbenzenemethanamine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 2.0594 | RDKit |
| Molar Refractivity | 44.21570000000002 | RDKit |
