Back to Search
3-(Benzylamino)-1-Propanol
CAS: 4720-29-0 | C10H15NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4720-29-0
Molecular Formula:
C10H15NO
Molecular Mass:
165.24 g/mol
Names and Synonyms:
3-(Benzylamino)-1-Propanol
1-Propanol, 3-[(phenylmethyl)amino]-
1-Propanol, 3-(benzylamino)-
3-[(Phenylmethyl)amino]-1-propanol
3-(Benzylamino)-1-propanol
N-Benzyl-N-(3-hydroxypropyl)amine
N-Benzyl-3-aminopropanol
N-Benzyl-3-propanolamine
N-Benzylpropanolamine
NSC 165603
NSC 17283
3-(N-Benzylamino)propan-1-ol
Identifiers:
SMILES:
OCCCNCc1ccccc1
InChI:
InChI=1S/C10H15NO/c12-8-4-7-11-9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2
Key Properties
Boiling Point
132 °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 |
|---|
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 | 132 °C @ Press: 2 Torr | CAS Common Chemistry |
| Canonical SMILES | OCCCNCC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H15NO/c12-8-4-7-11-9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZQJXSIOFSZYGMH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-(Benzylamino)-1-propanol | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.26 Ų | RDKit |
| LogP | 1.1585999999999999 | RDKit |
| Molar Refractivity | 49.85150000000004 | RDKit |
