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Tranylcypromine
CAS: 155-09-9 | C9H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
155-09-9
Molecular Formula:
C9H11N
Molecular Weight:
133.194 g/mol
Names and Synonyms:
Tranylcypromine
Cyclopropanamine, 2-phenyl-, (1R,2S)-rel-
Cyclopropylamine, 2-phenyl-, trans-(±)-
Cyclopropanamine, 2-phenyl-, trans-(±)-
rel-(1R,2S)-2-Phenylcyclopropanamine
dl-Tranylcypromine
Tranylcypromine
Transamine
SKF 385
trans-dl-2-Phenylcyclopropylamine
(±)-Tranylcypromine
trans-(±)-2-Phenylcyclopropylamine
(RS)-Tranylcypromine
trans-2-Phenylcyclopropylamine
trans-Phenylcyclopropylamine
trans-2-Phenylcyclopropanamine
trans-2-Phenyl-1-cyclopropylamine
trans-1-Amino-2-phenylcyclopropane
(RS)-trans-2-Phenylcyclopropylamine
trans-SKF 385
NSC 80664
(1R,2S)-rel-2-Phenylcyclopropanamine
(±)-trans-2-Phenylcyclopropylamine
trans-2-Phenylcyclopropan-1-amine
Identifiers:
SMILES:
N[C@@H]1C[C@H]1c1ccccc1
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
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 133.194 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 133.089149352 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 | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.02 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.5011999999999999 | RDKit |
| molecular_mass | 133.19 g/mol | Legacy Database |
| cas-boiling-point | 79-80 °C @ Press: 1.5-1.6 Torr None | Legacy Database |
| cas-canonical-smile | NC1CC1C=2C=CC=CC2 None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=AELCINSCMGFISI-BRJQIKQINA-N None | Legacy Database |
| cas-melting-point | 28 °C None | Legacy Database |
| cas-name | Tranylcypromine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 41.775400000000026 | RDKit |
