Back to Search
Molecule
Serinol
CAS: 534-03-2 · C3H9NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 534-03-2
- Molecular Formula
- C3H9NO2
- Molecular Mass
- 91.11 g/mol
Identifiers
CAS Registry Number
534-03-2
SMILES
NC(CO)CO
InChI Key
KJJPLEZQSCZCKE-UHFFFAOYSA-N
InChI
InChI=1S/C3H9NO2/c4-3(1-5)2-6/h3,5-6H,1-2,4H2
Names and Synonyms
- Serinol Common Name
- 1,3-Propanediol, 2-amino- Synonym
- 2-Amino-1,3-propanediol Synonym
- Serinol Synonym
- 1,3-Dihydroxyisopropylamine Synonym
- 2-Aminoglycerol Synonym
- 1,3-Dihydroxy-2-propylamine Synonym
- 2-Amino-1,3-dihydroxypropane Synonym
- 2-Hydroxy-1-(hydroxymethyl)ethylamine Synonym
- NSC 93746 Synonym
- 2-Aminopropane-1,3-diol Synonym
- 1,3-Dihydroxypropan-2-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 91.11 g/mol | CAS Common Chemistry |
| Canonical SMILES | OCC(N)CO | CAS Common Chemistry |
| InChI | InChI=1S/C3H9NO2/c4-3(1-5)2-6/h3,5-6H,1-2,4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KJJPLEZQSCZCKE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 128 °C | CAS Common Chemistry |
| Name | Serinol | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 66.48 Ų | RDKit |
| LogP | -1.7017 | RDKit |
| Molar Refractivity | 22.146999999999995 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 91.063328528 g/mol | RDKit |
| Boiling Point | 115-120 °C @ 0.06 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 91.11 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H9NO2.
