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Molecule
D-Amphetamine
CAS: 51-64-9 · C9H13N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 51-64-9
- Molecular Formula
- C9H13N
- Molecular Mass
- 135.21 g/mol
Identifiers
CAS Registry Number
51-64-9
SMILES
C[C@H](N)Cc1ccccc1
InChI Key
KWTSXDURSIMDCE-QMMMGPOBSA-N
InChI
InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1
Names and Synonyms
- D-Amphetamine Common Name
- Benzeneethanamine, α-methyl-, (αS)- Synonym
- Phenethylamine, α-methyl-, (+)- Synonym
- Benzeneethanamine, α-methyl-, (S)- Synonym
- (αS)-α-Methylbenzeneethanamine Synonym
- (+)-Amphetamine Synonym
- Dexamphetamine Synonym
- Dextroamphetamine Synonym
- d-Amphetamine Synonym
- D-(+)-Amphetamine Synonym
- (S)-(+)-β-Phenylisopropylamine Synonym
- (+)-α-Methylphenethylamine Synonym
- (S)-Amphetamine Synonym
- d-(S)-Amphetamine Synonym
- d-α-Methylphenethylamine Synonym
- (S)-(+)-Amphetamine Synonym
- D-Amphetamine Synonym
- Dexedrine Synonym
- (S)-1-Phenyl-2-propylamine Synonym
- (2S)-(+)-Amphetamine Synonym
- (+)-(S)-Amphetamine Synonym
- (S)-α-Methylphenethylamine Synonym
- (S)-1-Phenyl-2-aminopropane Synonym
- Dexamfetamine Synonym
- (+)-Phenaminum Synonym
- NSC 73713 Synonym
- (S)-1-Phenyl-2-propanamine Synonym
- (S)-1-Methyl-2-phenylethylamine Synonym
- Metamina 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 | 0.95 g/cm³ | CAS Common Chemistry |
| 0.949 g/cm3 @ 15 °C | CAS Common Chemistry | |
| Boiling Point | 203-204 °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/t8-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=KWTSXDURSIMDCE-QMMMGPOBSA-N | CAS Common Chemistry |
| Melting Point | <25 °C | CAS Common Chemistry |
| Name | D-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 |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 135.21 g/mol; density = 0.950 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H13N.
