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Molecule
Aminopentamide
CAS: 60-46-8 · C19H24N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 60-46-8
- Molecular Formula
- C19H24N2O
- Molecular Mass
- 296.41 g/mol
Identifiers
CAS Registry Number
60-46-8
SMILES
CC(CC(C(=N)O)(c1ccccc1)c1ccccc1)N(C)C
InChI Key
NARHAGIVSFTMIG-UHFFFAOYSA-N
InChI
InChI=1S/C19H24N2O/c1-15(21(2)3)14-19(18(20)22,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15H,14H2,1-3H3,(H2,20,22)
Names and Synonyms
- Aminopentamide Synonym
- Benzeneacetamide, α-[2-(dimethylamino)propyl]-α-phenyl- Synonym
- Valeramide, 4-(dimethylamino)-2,2-diphenyl- Synonym
- α-[2-(Dimethylamino)propyl]-α-phenylbenzeneacetamide Synonym
- Aminopentamide Synonym
- Dimevamide Synonym
- α,α-Diphenyl-γ-dimethylaminovaleramide Synonym
- Valeramide-OM Synonym
- Centrine Synonym
- dl-Aminopentamide Synonym
- BL 139 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Name | Aminopentamide | CAS Common Chemistry |
| Molecular Mass | 296.41 g/mol | CAS Common Chemistry |
| 296.41400000000004 g/mol | RDKit | |
| 296.414 g/mol | RDKit | |
| Canonical SMILES | O=C(N)C(C=1C=CC=CC1)(C=2C=CC=CC2)CC(N(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C19H24N2O/c1-15(21(2)3)14-19(18(20)22,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15H,14H2,1-3H3,(H2,20,22) | CAS Common Chemistry |
| InChI Key | InChIKey=NARHAGIVSFTMIG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 137 °C | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 47.32 Ų | RDKit |
| LogP | 3.848170000000003 | RDKit |
| 3.8482 | RDKit | |
| 3.72 | chempirical lib | |
| Molar Refractivity | 91.78550000000006 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3158 | RDKit |
| 0.32 | chempirical lib | |
| Exact Mass | 296.18886338799996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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 = 296.41 g/mol. Edit any field — others recompute live.
