Back to Search
Molecule
Benzenemethanamine, Α-Phenyl-, Hydrochloride (1:1)
CAS: 5267-34-5 · C13H14ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 5267-34-5
- Molecular Formula
- C13H14ClN
- Molecular Mass
- 219.71 g/mol
Identifiers
CAS Registry Number
5267-34-5
SMILES
Cl.NC(c1ccccc1)c1ccccc1
InChI Key
CIHWJRSPVJBHGT-UHFFFAOYSA-N
InChI
InChI=1S/C13H13N.ClH/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10,13H,14H2;1H
Names and Synonyms
- Benzenemethanamine, Α-Phenyl-, Hydrochloride (1:1) Synonym
- Benzenemethanamine, α-phenyl-, hydrochloride (1:1) Synonym
- Methylamine, 1,1-diphenyl-, hydrochloride Synonym
- Benzenemethanamine, α-phenyl-, hydrochloride Synonym
- Benzhydrylamine hydrochloride Synonym
- 1,1-Diphenylmethylamine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 219.71 g/mol | CAS Common Chemistry |
| 219.715 g/mol | RDKit | |
| 219.712 g/mol | chempirical lib | |
| Canonical SMILES | Cl.NC(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H13N.ClH/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10,13H,14H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=CIHWJRSPVJBHGT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 287 °C | CAS Common Chemistry |
| Name | Benzenemethanamine, α-phenyl-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 3.156500000000001 | RDKit |
| 3.1565 | RDKit | |
| 3.14 | chempirical lib | |
| Molar Refractivity | 66.16240000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0769 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 219.081477128 g/mol | RDKit |
| Boiling Point | 205-207 °C @ 4 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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
Convert
Quick conversion
MW = 219.71 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H14ClN.
