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N-Benzyl-N-Methylethanolamine
CAS: 101-98-4 | C10H15NO
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
101-98-4
Molecular Formula:
C10H15NO
Molecular Mass:
165.24 g/mol
Names and Synonyms:
N-Benzyl-N-Methylethanolamine
Ethanol, 2-[methyl(phenylmethyl)amino]-
Ethanol, 2-(benzylmethylamino)-
2-[Methyl(phenylmethyl)amino]ethanol
N-Methyl-N-benzylethanolamine
2-(Benzylmethylamino)ethanol
2-(N-Methylbenzylamino)ethanol
N-Benzyl-N-methyl-2-aminoethanol
β-(N-Benzyl-N-methylamino)ethanol
N-Benzyl-N-methylethanolamine
2-(N-benzyl-N-methylamino)ethanol
Benzyl(2-hydroxyethyl)methylamine
N-Benzyl-N-methyl(2-hydroxyethyl)amine
2-[Benzyl(methyl)amino]ethan-1-ol
Identifiers:
SMILES:
CN(CCO)Cc1ccccc1
InChI:
InChI=1S/C10H15NO/c1-11(7-8-12)9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
Key Properties
Boiling Point
100-105 °C @ Press: 2 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 |
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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 | 165.24 g/mol | CAS Common Chemistry |
| 165.236 g/mol | RDKit | |
| 165.1153641 g/mol | RDKit | |
| Boiling Point | 100-105 °C @ Press: 2 Torr | CAS Common Chemistry |
| Canonical SMILES | OCCN(C)CC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H15NO/c1-11(7-8-12)9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WOUANPHGFPAJCA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Benzyl-N-methylethanolamine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 23.47 Ų | RDKit |
| LogP | 1.1107 | RDKit |
| Molar Refractivity | 49.86180000000004 | RDKit |
