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Molecule
2-(Dimethylamino)-2-Methyl-1-Propanol
CAS: 7005-47-2 · C6H15NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7005-47-2
- Molecular Formula
- C6H15NO
- Molecular Mass
- 117.19 g/mol
Identifiers
CAS Registry Number
7005-47-2
SMILES
CN(C)C(C)(C)CO
InChI Key
XRIBIDPMFSLGFS-UHFFFAOYSA-N
InChI
InChI=1S/C6H15NO/c1-6(2,5-8)7(3)4/h8H,5H2,1-4H3
Names and Synonyms
- 2-(Dimethylamino)-2-Methyl-1-Propanol Systematic Name
- 1-Propanol, 2-(dimethylamino)-2-methyl- Synonym
- 2-(Dimethylamino)-2-methyl-1-propanol Synonym
- 2-(N,N-Dimethylamino)-2-methyl-1-propanol Synonym
- 2-(Dimethylamino)-2-methylpropyl alcohol Synonym
- DMAMP Synonym
- N,N-Dimethyl-2-amino-2-methylpropan-1-ol Synonym
- DMAMP 80 Synonym
- T-Amine WR 500 Synonym
- NSC 17706 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 117.19 g/mol | CAS Common Chemistry |
| 117.19199999999998 g/mol | RDKit | |
| 117.192 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.9007 g/cm3 @ 27 °C | CAS Common Chemistry | |
| Boiling Point | 160 °C | CAS Common Chemistry |
| Canonical SMILES | OCC(N(C)C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H15NO/c1-6(2,5-8)7(3)4/h8H,5H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XRIBIDPMFSLGFS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 19 °C | CAS Common Chemistry |
| Name | 2-(Dimethylamino)-2-methyl-1-propanol | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.47 Ų | RDKit |
| 23.24 Ų | chempirical lib | |
| LogP | 0.3188999999999998 | RDKit |
| 0.3189 | RDKit | |
| Molar Refractivity | 34.85179999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 117.1153641 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 = 117.19 g/mol; density = 0.900 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H15NO.
