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L-Alaninol
CAS: 2749-11-3 | C3H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2749-11-3
Molecular Formula:
C3H9NO
Molecular Weight:
75.11099999999999 g/mol
Names and Synonyms:
L-Alaninol
1-Propanol, 2-amino-, L-
1-Propanol, 2-amino-, (2S)-
(2S)-(+)-2-Aminopropan-1-ol
2S-Aminopropanol
(S)-2-Amino-1-propanol
2-(S)-Amino-propan-1-ol
(2S)-2-Aminopropan-1-ol
[(S)-1-(Hydroxymethyl)ethyl]amine
(2S)-(+)-2-Aminopropan-1-ol
((S)-2-Hydroxy-1-methylethyl)amine
(+)-2-Aminopropanol
(+)-Alaninol
S-(+)-2-Amino-1-propanol
(+)-2-Amino-1-propanol
(S)-2-Amino-1-propanol
(S)-2-Aminopropanol
(S)-Alaninol
S-(+)-Alaninol
L-2-Amino-1-propanol
L-(+)-Alaninol
L-2-Aminopropanol
L-Alaninol
(2S)-2-Amino-1-propanol
1-Propanol, 2-amino-, (S)-
Identifiers:
SMILES:
C[C@H](N)CO
InChI:
InChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3/t3-/m0/s1
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 75.11099999999999 g/mol | RDKit |
| Physical Properties | molecular_mass | 75.11 g/mol | Legacy Database |
| density | 0.97 g/cm³ | Legacy Database | |
| cas-boiling-point | 72-73 °C @ Press: 11 Torr | Legacy Database | |
| cas-canonical-smile | OCC(N)C | Legacy Database | |
| cas-density | 0.965 g/cm3 @ Temp: 20 °C | Legacy Database | |
| cas-inchi | InChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3/t3-/m0/s1 | Legacy Database | |
| cas-inchi-key | InChIKey=BKMMTJMQCTUHRP-VKHMYHEASA-N | Legacy Database | |
| cas-name | L-Alaninol | Legacy Database | |
| LogP | -0.6741000000000001 | RDKit | |
| Exact | Exact Molecular Weight | 75.068413908 g/mol | RDKit |
| Heavy | Heavy Atom Count | 5 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit | |
| Rotatable | Rotatable Bonds | 1 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 46.25 Ų | RDKit |
| Molar | Molar Refractivity | 20.735200000000003 | RDKit |
