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Formetorex
CAS: 15302-18-8 | C10H13NO
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
15302-18-8
Molecular Formula:
C10H13NO
Molecular Mass:
163.22 g/mol
Names and Synonyms:
Formetorex
Formamide, N-(1-methyl-2-phenylethyl)-
Formamide, N-(α-methylphenethyl)-, (±)-
Formamide, N-(1-methyl-2-phenylethyl)-, (±)-
N-(1-Methyl-2-phenylethyl)formamide
N-Formylamphetamine
Formetorex
Formetamide
1-Phenyl-2-(N-formylamino)propane
NSC 511083
Identifiers:
SMILES:
CC(Cc1ccccc1)N=CO
InChI:
InChI=1S/C10H13NO/c1-9(11-8-12)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,11,12)
Key Properties
Boiling Point
119-121 °C @ Press: 0.12 Torr
CAS Common Chemistry
Melting Point
49-50 °C @ Solvent: Hexane, Ethyl acetate
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 | 163.22 g/mol | CAS Common Chemistry |
| 163.21999999999997 g/mol | RDKit | |
| 163.099714036 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Formetorex | CAS Common Chemistry |
| Boiling Point | 119-121 °C @ Press: 0.12 Torr | CAS Common Chemistry |
| Canonical SMILES | O=CNC(C)CC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H13NO/c1-9(11-8-12)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=SGSYPSYCGPLSML-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 49-50 °C @ Solvent: Hexane, Ethyl acetate | CAS Common Chemistry |
| Name | N-Formylamphetamine | CAS Common Chemistry |
| Formetorex | CAS Common Chemistry | |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 2.2039 | RDKit |
| Molar Refractivity | 50.72880000000003 | RDKit |
