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Molecule
Phenylbenzylamine
CAS: 103-32-2 · C13H13N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 103-32-2
- Molecular Formula
- C13H13N
- Molecular Mass
- 183.25 g/mol
Identifiers
CAS Registry Number
103-32-2
SMILES
c1ccc(CNc2ccccc2)cc1
InChI Key
GTWJETSWSUWSEJ-UHFFFAOYSA-N
InChI
InChI=1S/C13H13N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10,14H,11H2
Names and Synonyms
- Phenylbenzylamine Synonym
- Benzylaniline Synonym
- Benzenemethanamine, N-phenyl- Synonym
- Benzylamine, N-phenyl- Synonym
- N-Phenylbenzenemethanamine Synonym
- N-Benzylaniline Synonym
- Benzylphenylamine Synonym
- Benzenamine, N-(phenylmethyl)- Synonym
- Benzylaniline Synonym
- N-Phenylbenzylamine Synonym
- N-Benzylbenzenamine Synonym
- N-Benzyl-N-phenylamine Synonym
- N-Phenyl-N-benzylamine Synonym
- N-Benzylphenylamine Synonym
- NSC 147284 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 183.25 g/mol | CAS Common Chemistry |
| 183.25400000000002 g/mol | RDKit | |
| 183.254 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.0298 g/cm3 @ 65 °C | CAS Common Chemistry | |
| Boiling Point | 306.5 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)NCC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H13N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10,14H,11H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GTWJETSWSUWSEJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 37.5 °C | CAS Common Chemistry |
| Name | Benzylaniline | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 3.298700000000001 | RDKit |
| 3.2987 | RDKit | |
| Molar Refractivity | 60.21070000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0769 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 183.104799416 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
External Resources
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Quick conversion
MW = 183.25 g/mol; density = 1.030 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H13N.
