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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
Names and Synonyms:
Aminopentamide
Benzeneacetamide, α-[2-(dimethylamino)propyl]-α-phenyl-
Valeramide, 4-(dimethylamino)-2,2-diphenyl-
α-[2-(Dimethylamino)propyl]-α-phenylbenzeneacetamide
Aminopentamide
Dimevamide
α,α-Diphenyl-γ-dimethylaminovaleramide
Valeramide-OM
Centrine
dl-Aminopentamide
BL 139
Identifiers:
SMILES:
CC(CC(C(=N)O)(c1ccccc1)c1ccccc1)N(C)C
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)
Key Properties
Melting Point
137 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 296.41 g/mol | CAS Common Chemistry |
| 296.41400000000004 g/mol | RDKit | |
| 296.18886338799996 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 |
| Name | Aminopentamide | 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 |
| Molar Refractivity | 91.78550000000006 | RDKit |
