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Molecule
2-Amino-2-Methyl-1,3-Propanediol
CAS: 115-69-5 · C4H11NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 115-69-5
- Molecular Formula
- C4H11NO2
- Molecular Mass
- 105.14 g/mol
Identifiers
CAS Registry Number
115-69-5
SMILES
CC(N)(CO)CO
InChI Key
UXFQFBNBSPQBJW-UHFFFAOYSA-N
InChI
InChI=1S/C4H11NO2/c1-4(5,2-6)3-7/h6-7H,2-3,5H2,1H3
Names and Synonyms
- 2-Amino-2-Methyl-1,3-Propanediol Synonym
- 1,3-Propanediol, 2-amino-2-methyl- Synonym
- 2-Amino-2-methyl-1,3-propanediol Synonym
- Aminoglycol Synonym
- AMPD Synonym
- 1,1-Di(hydroxymethyl)ethylamine Synonym
- 1,3-Dihydroxy-2-amino-2-methylpropane Synonym
- 1,3-Dihydroxy-2-methyl-2-propylamine Synonym
- 2-Methyl-2-amino-1,3-propanediol Synonym
- Amediol Synonym
- Ammediol Synonym
- Bis Synonym
- 2-Amino-2-methylpropan-1,3-diol Synonym
- NSC 6364 Synonym
- AMPD Ultra PC Synonym
- 2-Amino-2-methyl-1,3-propanol Synonym
- 2-Amino-2-methylpropane-l,3-diol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 105.14 g/mol | CAS Common Chemistry |
| 105.13699999999999 g/mol | RDKit | |
| 105.137 g/mol | RDKit | |
| Boiling Point | 151-152 °C | CAS Common Chemistry |
| Canonical SMILES | OCC(N)(C)CO | CAS Common Chemistry |
| InChI | InChI=1S/C4H11NO2/c1-4(5,2-6)3-7/h6-7H,2-3,5H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UXFQFBNBSPQBJW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 110 °C | CAS Common Chemistry |
| Name | 2-Amino-2-methyl-1,3-propanediol | CAS Common Chemistry |
| Heavy Atom Count | 7 | 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 | -1.3116 | RDKit |
| Molar Refractivity | 26.763999999999996 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 105.078978592 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 105.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H11NO2.
