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Molecule
2-Chloro-N-Methylbenzenemethanamine
CAS: 94-64-4 · C8H10ClN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 94-64-4
- Molecular Formula
- C8H10ClN
- Molecular Mass
- 155.63 g/mol
Identifiers
CAS Registry Number
94-64-4
SMILES
CNCc1ccccc1Cl
InChI Key
DIWGZVQKFSFNLH-UHFFFAOYSA-N
InChI
InChI=1S/C8H10ClN/c1-10-6-7-4-2-3-5-8(7)9/h2-5,10H,6H2,1H3
Names and Synonyms
- 2-Chloro-N-Methylbenzenemethanamine Systematic Name
- Benzenemethanamine, 2-chloro-N-methyl- Synonym
- Benzylamine, o-chloro-N-methyl- Synonym
- 2-Chloro-N-methylbenzenemethanamine Synonym
- o-Chloro-N-methylbenzylamine Synonym
- 2-Chloro-N-methylbenzylamine Synonym
- N-Methyl-o-chlorobenzylamine Synonym
- Methyl((2-chlorophenyl)methyl)amine Synonym
- (2-Chlorobenzyl)methylamine Synonym
- N-2-Chlorobenzylmethylamine Synonym
- 1-(2-Chlorophenyl)-N-methylmethanamine Synonym
- N-Methyl-2-chlorobenzylamine Synonym
- N-(2-Chlorobenzyl)-N-methylamine Synonym
- [(2-Chlorophenyl)methyl](methyl)amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 155.63 g/mol | CAS Common Chemistry |
| 155.62799999999996 g/mol | RDKit | |
| 155.628 g/mol | RDKit | |
| 155.625 g/mol | chempirical lib | |
| 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 |
| 2.26 | chempirical lib | |
| Molar Refractivity | 44.21570000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 155.050177 g/mol | RDKit |
| Boiling Point | 83-84 °C @ 2 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
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MW = 155.63 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10ClN.
