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Alaninol
CAS: 6168-72-5 | C3H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6168-72-5
Molecular Formula:
C3H9NO
Molecular Mass:
75.11 g/mol
Names and Synonyms:
Alaninol
1-Propanol, 2-amino-
1-Propanol, 2-amino-, DL-
1-Propanol, 2-amino-, (±)-
2-Amino-1-propanol
dl-2-Aminopropanol
DL-2-Amino-1-propanol
DL-Alaninol
(±)-2-Amino-1-propanol
dl-Alaninol
dl-2-Amino-1-propanol
(±)-2-Aminopropanol
Alaninol
2-Aminopropanol
β-Propanolamine
1-Methyl-2-hydroxyethylamine
2-Amino-2-methylethanol
1-Hydroxy-2-aminopropane
2-Hydroxy-1-methylethylamine
β-Aminopropanol
2-Amino-1-hydroxypropane
Propanolamine
(RS)-2-Amino-1-propanol
(±)-Alaninol
NSC 1360
[1-(Hydroxymethyl)ethyl]amine
1-Hydroxypropan-2-amine
1-Hydroxyprop-2-ylamine
Identifiers:
SMILES:
CC(N)CO
InChI:
InChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3
Key Properties
Boiling Point
174.5 °C
CAS Common Chemistry
Melting Point
96 °C
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 | 75.11 g/mol | CAS Common Chemistry |
| 75.11099999999999 g/mol | RDKit | |
| 75.068413908 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Alaninol | CAS Common Chemistry |
| Boiling Point | 174.5 °C | CAS Common Chemistry |
| Canonical SMILES | OCC(N)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BKMMTJMQCTUHRP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 96 °C | CAS Common Chemistry |
| Name | DL-2-Amino-1-propanol | CAS Common Chemistry |
| Alaninol | CAS Common Chemistry | |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.25 Ų | RDKit |
| LogP | -0.6741000000000001 | RDKit |
| Molar Refractivity | 20.735200000000003 | RDKit |
