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Molecule
Tranylcypromine
CAS: 155-09-9 · C9H11N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 155-09-9
- Molecular Formula
- C9H11N
- Molecular Mass
- 133.19 g/mol
Identifiers
CAS Registry Number
155-09-9
SMILES
N[C@@H]1C[C@H]1c1ccccc1
InChI Key
AELCINSCMGFISI-BRJQIKQINA-N
InChI
InChI=1/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/s2
Names and Synonyms
- Tranylcypromine Synonym
- Cyclopropanamine, 2-phenyl-, (1R,2S)-rel- Synonym
- Cyclopropylamine, 2-phenyl-, trans-(±)- Synonym
- Cyclopropanamine, 2-phenyl-, trans-(±)- Synonym
- rel-(1R,2S)-2-Phenylcyclopropanamine Synonym
- dl-Tranylcypromine Synonym
- Tranylcypromine Synonym
- Transamine Synonym
- SKF 385 Synonym
- trans-dl-2-Phenylcyclopropylamine Synonym
- (±)-Tranylcypromine Synonym
- trans-(±)-2-Phenylcyclopropylamine Synonym
- (RS)-Tranylcypromine Synonym
- trans-2-Phenylcyclopropylamine Synonym
- trans-Phenylcyclopropylamine Synonym
- trans-2-Phenylcyclopropanamine Synonym
- trans-2-Phenyl-1-cyclopropylamine Synonym
- trans-1-Amino-2-phenylcyclopropane Synonym
- (RS)-trans-2-Phenylcyclopropylamine Synonym
- trans-SKF 385 Synonym
- NSC 80664 Synonym
- (1R,2S)-rel-2-Phenylcyclopropanamine Synonym
- (±)-trans-2-Phenylcyclopropylamine Synonym
- trans-2-Phenylcyclopropan-1-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 133.19 g/mol | CAS Common Chemistry |
| 133.194 g/mol | RDKit | |
| Canonical SMILES | NC1CC1C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/s2 | CAS Common Chemistry |
| InChI Key | InChIKey=AELCINSCMGFISI-BRJQIKQINA-N | CAS Common Chemistry |
| Melting Point | 28 °C | CAS Common Chemistry |
| Name | Tranylcypromine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 1.5011999999999999 | RDKit |
| 1.5012 | RDKit | |
| Molar Refractivity | 41.775400000000026 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 133.089149352 g/mol | RDKit |
| Boiling Point | 79-80 °C @ 1.5-1.6 Torr | CAS Common Chemistry |
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 = 133.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H11N.
