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Molecule
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
Identifiers
CAS Registry Number
2749-11-3
SMILES
C[C@H](N)CO
InChI Key
BKMMTJMQCTUHRP-VKHMYHEASA-N
InChI
InChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3/t3-/m0/s1
Names and Synonyms
- L-Alaninol Common Name
- 1-Propanol, 2-amino-, (2S)- Synonym
- 1-Propanol, 2-amino-, L- Synonym
- 1-Propanol, 2-amino-, (S)- Synonym
- (2S)-2-Amino-1-propanol Synonym
- L-Alaninol Synonym
- L-2-Aminopropanol Synonym
- L-(+)-Alaninol Synonym
- L-2-Amino-1-propanol Synonym
- S-(+)-Alaninol Synonym
- (S)-Alaninol Synonym
- (S)-2-Aminopropanol Synonym
- (S)-2-Amino-1-propanol Synonym
- (+)-2-Amino-1-propanol Synonym
- S-(+)-2-Amino-1-propanol Synonym
- (+)-Alaninol Synonym
- (+)-2-Aminopropanol Synonym
- ((S)-2-Hydroxy-1-methylethyl)amine Synonym
- (2S)-(+)-2-Aminopropan-1-ol Synonym
- [(S)-1-(Hydroxymethyl)ethyl]amine Synonym
- (2S)-2-Aminopropan-1-ol Synonym
- 2-(S)-Amino-propan-1-ol Synonym
- (S)-2-Amino-1-propanol Synonym
- 2S-Aminopropanol Synonym
- (2S)-(+)-2-Aminopropan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | OCC(N)C | CAS Common Chemistry |
| Molecular Mass | 75.11 g/mol | CAS Common Chemistry |
| 75.11099999999999 g/mol | RDKit | |
| 75.111 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.965 g/cm3 @ 20 °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 |
| -0.6741 | RDKit | |
| Molar Refractivity | 20.735200000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 75.068413908 g/mol | RDKit |
| Boiling Point | 72-73 °C @ 11 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
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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.
External Resources
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MW = 75.11 g/mol; density = 0.970 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H9NO.
