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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
Names and Synonyms:
Benzhydrylamine
Benzenemethanamine, α-phenyl-
Methylamine, 1,1-diphenyl-
α-Phenylbenzenemethanamine
α-Aminodiphenylmethane
1,1-Diphenylmethylamine
α-Phenylbenzylamine
Benzhydrylamine
Methanamine, 1,1-diphenyl-
Aminodiphenylmethane
(Diphenylmethyl)amine
1-Amino-1-(phenylmethyl)benzene
NSC 49127
1,1-Diphenylmethanamine
Diphenylmethamine
Identifiers:
SMILES:
NC(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C13H13N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,14H2
Key Properties
Boiling Point
304 °C
CAS Common Chemistry
Melting Point
34 °C
CAS Common Chemistry
Density
1.06 g/cm³
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 |
|---|
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 | 183.25 g/mol | CAS Common Chemistry |
| 183.254 g/mol | RDKit | |
| 183.104799416 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 |
| Molar Refractivity | 58.91440000000003 | RDKit |
