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Molecule
(+)-1-Amino-2-Propanol
CAS: 2799-17-9 · C3H9NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2799-17-9
- Molecular Formula
- C3H9NO
- Molecular Mass
- 75.11 g/mol
Identifiers
CAS Registry Number
2799-17-9
SMILES
C[C@H](O)CN
InChI Key
HXKKHQJGJAFBHI-VKHMYHEASA-N
InChI
InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/t3-/m0/s1
Names and Synonyms
- (+)-1-Amino-2-Propanol Common Name
- 2-Propanol, 1-amino-, (2S)- Synonym
- 2-Propanol, 1-amino-, L-(+)- Synonym
- 2-Propanol, 1-amino-, (S)- Synonym
- (2S)-1-Amino-2-propanol Synonym
- L-1-Amino-2-propanol Synonym
- (+)-1-Amino-2-propanol Synonym
- (S)-1-Amino-2-propanol Synonym
- S-(+)-1-Amino-2-propanol Synonym
- (S)-2-Hydroxypropylamine Synonym
- (+)-(S)-1-Amino-2-propanol Synonym
- (2-(S)-Hydroxypropyl)amine Synonym
- (2S)-1-Aminopropan-2-ol Synonym
- ((S)-2-Hydroxypropan-1-yl)amine Synonym
- (2S)-1-Aminopropan-2-ol Synonym
- (2S)-2-Hydroxypropylamine Synonym
- (S)-1-Aminopropan-2-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 75.11 g/mol | CAS Common Chemistry |
| 75.111 g/mol | RDKit | |
| Canonical SMILES | OC(C)CN | CAS Common Chemistry |
| InChI | InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/t3-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=HXKKHQJGJAFBHI-VKHMYHEASA-N | CAS Common Chemistry |
| Name | (+)-1-Amino-2-propanol | 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 |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H9NO.
