Back to Search
Molecule
Phenelzine
CAS: 51-71-8 · C8H12N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 51-71-8
- Molecular Formula
- C8H12N2
- Molecular Mass
- 136.20 g/mol
Identifiers
CAS Registry Number
51-71-8
SMILES
NNCCc1ccccc1
InChI Key
RMUCZJUITONUFY-UHFFFAOYSA-N
InChI
InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2
Names and Synonyms
- Phenelzine Common Name
- Phenelzine Synonym
- Hydrazine, (2-phenylethyl)- Synonym
- Hydrazine, phenethyl- Synonym
- (2-Phenylethyl)hydrazine Synonym
- 1-Hydrazino-2-phenylethane Synonym
- Phenethylhydrazine Synonym
- β-Phenylethylhydrazine Synonym
- Phenylethylhydrazine Synonym
- W 1544 Synonym
- 1-(2-Phenylethyl)hydrazine Synonym
- 1-(2-Phenethyl)hydrazine Synonym
- Phenalzine Synonym
- N-Phenethylhydrazine Synonym
- Phenylzine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.20 g/mol | CAS Common Chemistry |
| 136.19799999999998 g/mol | RDKit | |
| 136.198 g/mol | RDKit | |
| Density | 1.02 g/cm³ | CAS Common Chemistry |
| 1.0161 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 74 °C | CAS Common Chemistry |
| Canonical SMILES | NNCCC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=RMUCZJUITONUFY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <25 °C | CAS Common Chemistry |
| Name | Phenelzine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 38.05 Ų | RDKit |
| LogP | 0.6923999999999992 | RDKit |
| 0.6924 | RDKit | |
| Molar Refractivity | 42.33610000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 136.100048384 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
Convert
Quick conversion
MW = 136.20 g/mol; density = 1.020 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H12N2.
