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Molecule
1-Amino-2-Methyl-2-Propanol
CAS: 2854-16-2 · C4H11NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2854-16-2
- Molecular Formula
- C4H11NO
- Molecular Mass
- 89.14 g/mol
Identifiers
CAS Registry Number
2854-16-2
SMILES
CC(C)(O)CN
InChI Key
LXQMHOKEXZETKB-UHFFFAOYSA-N
InChI
InChI=1S/C4H11NO/c1-4(2,6)3-5/h6H,3,5H2,1-2H3
Names and Synonyms
- 1-Amino-2-Methyl-2-Propanol Systematic Name
- 2-Propanol, 1-amino-2-methyl- Synonym
- 1-Amino-2-methyl-2-propanol Synonym
- 3-Amino-2-methyl-2-propanol Synonym
- 2-Amino-α,α-dimethylethanol Synonym
- 2-Hydroxyisobutylamine Synonym
- 2-Hydroxy-2-methyl-1-propylamine Synonym
- 2-Methyl-2-hydroxypropylamine Synonym
- NSC 17697 Synonym
- 1,1-Dimethylethanolamine Synonym
- 2-Hydroxy-2-methylpropan-1-amine Synonym
- 2-Hydroxy-2-methylpropanamine Synonym
- tert-Butanolamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 89.14 g/mol | CAS Common Chemistry |
| 89.13800000000002 g/mol | RDKit | |
| 89.138 g/mol | RDKit | |
| Boiling Point | 150-150.5 °C | CAS Common Chemistry |
| Canonical SMILES | OC(C)(C)CN | CAS Common Chemistry |
| InChI | InChI=1S/C4H11NO/c1-4(2,6)3-5/h6H,3,5H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LXQMHOKEXZETKB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Amino-2-methyl-2-propanol | CAS Common Chemistry |
| Heavy Atom Count | 6 | 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 | -0.2839999999999999 | RDKit |
| -0.284 | RDKit | |
| Molar Refractivity | 25.352199999999996 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 89.084063972 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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 = 89.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H11NO.
