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Molecule
3-Amino-2,2-Dimethyl-1-Propanol
CAS: 26734-09-8 · C5H13NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 26734-09-8
- Molecular Formula
- C5H13NO
- Molecular Mass
- 103.17 g/mol
Identifiers
CAS Registry Number
26734-09-8
SMILES
CC(C)(CN)CO
InChI Key
FNVOFDGAASRDQY-UHFFFAOYSA-N
InChI
InChI=1S/C5H13NO/c1-5(2,3-6)4-7/h7H,3-4,6H2,1-2H3
Names and Synonyms
- 3-Amino-2,2-Dimethyl-1-Propanol Synonym
- 1-Propanol, 3-amino-2,2-dimethyl- Synonym
- 3-Amino-2,2-dimethyl-1-propanol Synonym
- 2,2-Dimethyl-3-aminopropanol Synonym
- Neopentanolamine Synonym
- 3-Hydroxy-2,2-dimethylpropylamine Synonym
- 3-Amino-2,2-dimethylpropanol Synonym
- 2,2-Dimethyl-3-amino-1-propanol Synonym
- 1-Amino-2,2-dimethyl-3-propanol Synonym
- 2,2-Dimethyl-3-hydroxypropanamine Synonym
- 2,2-Dimethyl-3-hydroxypropylamine Synonym
- 3-Hydroxy-2,2-dimethylpropanamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 103.17 g/mol | CAS Common Chemistry |
| 103.16499999999999 g/mol | RDKit | |
| 103.165 g/mol | RDKit | |
| Canonical SMILES | OCC(C)(C)CN | CAS Common Chemistry |
| InChI | InChI=1S/C5H13NO/c1-5(2,3-6)4-7/h7H,3-4,6H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FNVOFDGAASRDQY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 98-100 °C | CAS Common Chemistry |
| Name | 3-Amino-2,2-dimethyl-1-propanol | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.25 Ų | RDKit |
| LogP | -0.03639999999999982 | RDKit |
| -0.0364 | RDKit | |
| Molar Refractivity | 29.92119999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 103.099714036 g/mol | RDKit |
| Boiling Point | 95-105 °C @ 35 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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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 = 103.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H13NO.
