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Molecule
Amphetamine
CAS: 300-62-9 · C9H13N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 300-62-9
- Molecular Formula
- C9H13N
- Molecular Mass
- 135.21 g/mol
Identifiers
CAS Registry Number
300-62-9
SMILES
CC(N)Cc1ccccc1
InChI Key
KWTSXDURSIMDCE-UHFFFAOYSA-N
InChI
InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
Names and Synonyms
- Amphetamine Synonym
- Anorexine Synonym
- (±)-Desoxynorephedrine Synonym
- Benzedrine Synonym
- Benzeneethanamine, α-methyl- Synonym
- Phenethylamine, α-methyl-, (±)- Synonym
- Benzeneethanamine, α-methyl-, (±)- Synonym
- α-Methylbenzeneethanamine Synonym
- Actedron Synonym
- Adipan Synonym
- Allodene Synonym
- Amphetamine Synonym
- Elastonon Synonym
- Isoamyne Synonym
- Isomyn Synonym
- Mecodrin Synonym
- (±)-α-Methylphenethylamine Synonym
- Norephedrane Synonym
- Ortedrine Synonym
- Phenedrine Synonym
- Profamina Synonym
- Propisamine Synonym
- Raphetamine Synonym
- Simpatedrin Synonym
- Sympamine Synonym
- Sympatedrine Synonym
- Weckamine Synonym
- Finam Synonym
- dl-α-Methylphenethylamine Synonym
- (±)-β-Phenylisopropylamine Synonym
- β-Aminopropylbenzene Synonym
- Novydrine Synonym
- Rhinalator Synonym
- Oktedrin Synonym
- Simpatina Synonym
- Percomon Synonym
- Benzebar Synonym
- Benzolone Synonym
- (±)-α-Methylphenylethylamine Synonym
- (±)-Phenylisopropylamine Synonym
- Obesin Synonym
- Obesine Synonym
- Amfetamine Synonym
- (±)-1-Phenyl-2-aminopropane Synonym
- Racemic amphetamine Synonym
- Desoxynorephedrine Synonym
- Fenopromin Synonym
- 1-Phenyl-2-aminopropane Synonym
- 2-Amino-1-phenylpropane Synonym
- α-Methylphenethylamine Synonym
- β-Phenylisopropylamine Synonym
- α-Methylphenylethylamine Synonym
- 1-Methyl-2-phenylethylamine Synonym
- 1-Phenyl-2-propylamine Synonym
- 3-Phenyl-2-propylamine Synonym
- α-Methyl-β-phenylethylamine Synonym
- Phenamine Synonym
- Adderall Synonym
- 1-Phenyl-2-propanamine Synonym
- 1-Benzylethylamine Synonym
- SLI 381 Synonym
- Adderall XR Synonym
- NSC 27159 Synonym
- 3-Phenylpropan-2-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 135.21 g/mol | CAS Common Chemistry |
| 135.20999999999998 g/mol | RDKit | |
| Density | 0.91 g/cm³ | CAS Common Chemistry |
| 0.913 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Canonical SMILES | NC(C)CC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KWTSXDURSIMDCE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 146 °C | CAS Common Chemistry |
| Name | Amphetamine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 1.5763 | RDKit |
| Molar Refractivity | 43.79540000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 135.104799416 g/mol | RDKit |
| Boiling Point | 200-203 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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Quick conversion
MW = 135.21 g/mol; density = 0.910 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H13N.
