Back to Search
Molecule
N-Benzylethylenediamine
CAS: 4152-09-4 · C9H14N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 4152-09-4
- Molecular Formula
- C9H14N2
- Molecular Mass
- 150.23 g/mol
Identifiers
CAS Registry Number
4152-09-4
SMILES
NCCNCc1ccccc1
InChI Key
ACYBVNYNIZTUIL-UHFFFAOYSA-N
InChI
InChI=1S/C9H14N2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,11H,6-8,10H2
Names and Synonyms
- N-Benzylethylenediamine Common Name
- 1,2-Ethanediamine, N1-(phenylmethyl)- Synonym
- Ethylenediamine, N-benzyl- Synonym
- 1,2-Ethanediamine, N-(phenylmethyl)- Synonym
- N1-(Phenylmethyl)-1,2-ethanediamine Synonym
- N-Benzylethylenediamine Synonym
- N-Benzyl-1,2-ethanediamine Synonym
- N-Benzyl-1,2-diaminoethane Synonym
- N-Benzylethanediamine Synonym
- N-(Phenylmethyl)-1,2-ethanediamine Synonym
- 1-Amino-2-(N-benzylamino)ethane Synonym
- N-Benzyl-1,2-ethylenediamine Synonym
- NSC 18480 Synonym
- 2-(Benzylamino)ethylamine Synonym
- (2-Aminoethyl)(benzyl)amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 150.23 g/mol | CAS Common Chemistry |
| 150.225 g/mol | RDKit | |
| Canonical SMILES | NCCNCC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H14N2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,11H,6-8,10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ACYBVNYNIZTUIL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Benzylethylenediamine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 38.05 Ų | RDKit |
| LogP | 0.7348999999999992 | RDKit |
| 0.7349 | RDKit | |
| Molar Refractivity | 47.20310000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 150.115698448 g/mol | RDKit |
| Boiling Point | 100 °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 = 150.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H14N2.
