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Molecule
Benzhydrylamine
CAS: 91-00-9 · C13H13N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 91-00-9
- Molecular Formula
- C13H13N
- Molecular Mass
- 183.25 g/mol
Identifiers
CAS Registry Number
91-00-9
SMILES
NC(c1ccccc1)c1ccccc1
InChI Key
MGHPNCMVUAKAIE-UHFFFAOYSA-N
InChI
InChI=1S/C13H13N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,14H2
Names and Synonyms
- Benzhydrylamine Synonym
- Benzenemethanamine, α-phenyl- Synonym
- Methylamine, 1,1-diphenyl- Synonym
- α-Phenylbenzenemethanamine Synonym
- α-Aminodiphenylmethane Synonym
- 1,1-Diphenylmethylamine Synonym
- α-Phenylbenzylamine Synonym
- Benzhydrylamine Synonym
- Methanamine, 1,1-diphenyl- Synonym
- Aminodiphenylmethane Synonym
- (Diphenylmethyl)amine Synonym
- 1-Amino-1-(phenylmethyl)benzene Synonym
- NSC 49127 Synonym
- 1,1-Diphenylmethanamine Synonym
- Diphenylmethamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 183.25 g/mol | CAS Common Chemistry |
| 183.254 g/mol | RDKit | |
| Density | 1.06 g/cm³ | CAS Common Chemistry |
| 1.064 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 304 °C | CAS Common Chemistry |
| Canonical SMILES | NC(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H13N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,14H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MGHPNCMVUAKAIE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 34 °C | CAS Common Chemistry |
| Name | Benzhydrylamine | CAS Common Chemistry |
| Heavy Atom Count | 14 | 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 | 2.734700000000001 | RDKit |
| 2.7347 | RDKit | |
| Molar Refractivity | 58.91440000000003 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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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
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20
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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.
External Resources
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Quick conversion
MW = 183.25 g/mol; density = 1.060 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H13N.
