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L-Alaninol
CAS: 2749-11-3 | C3H9NO
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
2749-11-3
Molecular Formula:
C3H9NO
Molecular Mass:
75.11 g/mol
Names and Synonyms:
L-Alaninol
1-Propanol, 2-amino-, (2S)-
1-Propanol, 2-amino-, L-
1-Propanol, 2-amino-, (S)-
(2S)-2-Amino-1-propanol
L-Alaninol
L-2-Aminopropanol
L-(+)-Alaninol
L-2-Amino-1-propanol
S-(+)-Alaninol
(S)-Alaninol
(S)-2-Aminopropanol
(S)-2-Amino-1-propanol
(+)-2-Amino-1-propanol
S-(+)-2-Amino-1-propanol
(+)-Alaninol
(+)-2-Aminopropanol
((S)-2-Hydroxy-1-methylethyl)amine
(2S)-(+)-2-Aminopropan-1-ol
[(S)-1-(Hydroxymethyl)ethyl]amine
(2S)-2-Aminopropan-1-ol
2-(S)-Amino-propan-1-ol
(S)-2-Amino-1-propanol
2S-Aminopropanol
(2S)-(+)-2-Aminopropan-1-ol
Identifiers:
SMILES:
C[C@H](N)CO
InChI:
InChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3/t3-/m0/s1
Key Properties
Boiling Point
72-73 °C @ Press: 11 Torr
CAS Common Chemistry
Density
0.97 g/cm³
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 | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.965 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 72-73 °C @ Press: 11 Torr | 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/t3-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=BKMMTJMQCTUHRP-VKHMYHEASA-N | CAS Common Chemistry |
| Name | L-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 |
Related Molecules
Other compounds with formula C3H9NO
