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Molecule
Dibenzylamine
CAS: 103-49-1 · C14H15N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 103-49-1
- Molecular Formula
- C14H15N
- Molecular Mass
- 197.28 g/mol
Identifiers
CAS Registry Number
103-49-1
SMILES
c1ccc(CNCc2ccccc2)cc1
InChI Key
BWLUMTFWVZZZND-UHFFFAOYSA-N
InChI
InChI=1S/C14H15N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2
Names and Synonyms
- Dibenzylamine Common Name
- Benzenemethanamine, N-(phenylmethyl)- Synonym
- Dibenzylamine Synonym
- N-(Phenylmethyl)benzenemethanamine Synonym
- DBA Synonym
- N-Benzylbenzylamine Synonym
- N,N-Dibenzylamine Synonym
- (N-Benzylaminomethyl)benzene Synonym
- Bibenzylamine Synonym
- NSC 4811 Synonym
- Bisbenzylamine Synonym
- N-Benzyl-1-phenylmethanamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 197.28 g/mol | CAS Common Chemistry |
| 197.28100000000003 g/mol | RDKit | |
| 197.281 g/mol | RDKit | |
| Boiling Point | 270 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)CNCC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H15N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=BWLUMTFWVZZZND-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -26 °C | CAS Common Chemistry |
| Name | Dibenzylamine | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 2.9764000000000017 | RDKit |
| 2.9764 | RDKit | |
| 2.72 | chempirical lib | |
| Molar Refractivity | 63.42770000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 197.12044948 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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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MW = 197.28 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H15N.
