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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 Weight:
135.20999999999998 g/mol
Names and Synonyms:
Amphetamine
Anorexine
(±)-Desoxynorephedrine
Benzedrine
Benzeneethanamine, α-methyl-
Phenethylamine, α-methyl-, (±)-
Benzeneethanamine, α-methyl-, (±)-
α-Methylbenzeneethanamine
Actedron
Adipan
Allodene
Amphetamine
Elastonon
Isoamyne
Isomyn
Mecodrin
(±)-α-Methylphenethylamine
Norephedrane
Ortedrine
Phenedrine
Profamina
Propisamine
Raphetamine
Simpatedrin
Sympamine
Sympatedrine
Weckamine
Finam
dl-α-Methylphenethylamine
(±)-β-Phenylisopropylamine
β-Aminopropylbenzene
Novydrine
Rhinalator
Oktedrin
Simpatina
Percomon
Benzebar
Benzolone
(±)-α-Methylphenylethylamine
(±)-Phenylisopropylamine
Obesin
Obesine
Amfetamine
(±)-1-Phenyl-2-aminopropane
Racemic amphetamine
Desoxynorephedrine
Fenopromin
1-Phenyl-2-aminopropane
2-Amino-1-phenylpropane
α-Methylphenethylamine
β-Phenylisopropylamine
α-Methylphenylethylamine
1-Methyl-2-phenylethylamine
1-Phenyl-2-propylamine
3-Phenyl-2-propylamine
α-Methyl-β-phenylethylamine
Phenamine
Adderall
1-Phenyl-2-propanamine
1-Benzylethylamine
SLI 381
Adderall XR
NSC 27159
3-Phenylpropan-2-amine
Identifiers:
SMILES:
CC(N)Cc1ccccc1
InChI:
InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| cas-density | 0.913 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=KWTSXDURSIMDCE-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 146 °C None | Legacy Database |
| cas-name | Amphetamine None | Legacy Database |
| LogP | 1.5763 | RDKit |
| molecular_mass | 135.21 g/mol | Legacy Database |
| density | 0.91 g/cm³ | Legacy Database |
| cas-boiling-point | 200-203 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | NC(C)CC=1C=CC=CC1 None | Legacy Database |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 135.20999999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 135.104799416 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.02 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 43.79540000000002 | RDKit |
