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N1,N1-Dimethyl-N2-(Phenylmethyl)-1,2-Ethanediamine
CAS: 103-55-9 | C11H18N2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
103-55-9
Molecular Formula:
C11H18N2
Molecular Mass:
178.28 g/mol
Names and Synonyms:
N1,N1-Dimethyl-N2-(Phenylmethyl)-1,2-Ethanediamine
1,2-Ethanediamine, N1,N1-dimethyl-N2-(phenylmethyl)-
Ethylenediamine, N′-benzyl-N,N-dimethyl-
1,2-Ethanediamine, N,N-dimethyl-N′-(phenylmethyl)-
N1,N1-Dimethyl-N2-(phenylmethyl)-1,2-ethanediamine
N′-Benzyl-N,N-dimethylethylenediamine
N,N-Dimethyl-N′-benzylethylenediamine
Benzyl[2-(dimethylamino)ethyl]amine
N-Benzyl-N′,N′-dimethylethylenediamine
NSC 111162
NSC 118969
2-Benzylaminoethyldimethylamine
N-Benzyl-N-(2-dimethylaminoethyl)amine
N′-Benzyl-N,N-dimethylethane-1,2-diamine
N,N-Dimethyl-N′-benzyl-1,2-diaminoethane
N,N-Dimethyl-N′-phenylmethyl-1,2-ethanediamine
N-Benzyl-N′,N′-dimethylethane-1,2-diamine
Identifiers:
SMILES:
CN(C)CCNCc1ccccc1
InChI:
InChI=1S/C11H18N2/c1-13(2)9-8-12-10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
Key Properties
Boiling Point
128-132 °C @ Press: 18 Torr
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 | 178.28 g/mol | CAS Common Chemistry |
| 178.27900000000002 g/mol | RDKit | |
| 178.146998576 g/mol | RDKit | |
| Boiling Point | 128-132 °C @ Press: 18 Torr | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)CNCCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H18N2/c1-13(2)9-8-12-10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LLSJAFHDYCTFCM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N1,N1-Dimethyl-N2-(phenylmethyl)-1,2-ethanediamine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 15.27 Ų | RDKit |
| LogP | 1.3377999999999994 | RDKit |
| Molar Refractivity | 56.70270000000004 | RDKit |
