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Molecule
2-(4-Aminophenyl)Ethylamine
CAS: 13472-00-9 · C8H12N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13472-00-9
- Molecular Formula
- C8H12N2
- Molecular Mass
- 136.20 g/mol
Identifiers
CAS Registry Number
13472-00-9
SMILES
NCCc1ccc(N)cc1
InChI Key
LNPMZQXEPNWCMG-UHFFFAOYSA-N
InChI
InChI=1S/C8H12N2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6,9-10H2
Names and Synonyms
- 2-(4-Aminophenyl)Ethylamine Synonym
- Benzeneethanamine, 4-amino- Synonym
- Phenethylamine, p-amino- Synonym
- 4-Aminobenzeneethanamine Synonym
- 4-Aminophenylethylamine Synonym
- 4-Amino-β-phenylethylamine Synonym
- p-(2-Aminoethyl)aniline Synonym
- 2-(4-Aminophenyl)ethylamine Synonym
- 4-Amino-β-phenethylamine Synonym
- β-(4-Aminophenyl)ethylamine Synonym
- 4-(2-Aminoethyl)aniline Synonym
- β-(p-Aminophenyl)ethylamine Synonym
- p-Aminophenethylamine Synonym
- 4-Aminophenethylamine Synonym
- 2-(p-Aminophenyl)ethylamine Synonym
- 2-(4-Aminophenyl)phenethylamine Synonym
- (p-Aminophenyl)ethylamine Synonym
- 4-(2-Aminoethyl)phenylamine Synonym
- NSC 299558 Synonym
- NSC 9060 Synonym
- 4-(2-Aminoethyl)benzenamine 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 | |
| Canonical SMILES | NC1=CC=C(C=C1)CCN | CAS Common Chemistry |
| InChI | InChI=1S/C8H12N2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6,9-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LNPMZQXEPNWCMG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 62-63 °C | CAS Common Chemistry |
| Name | 2-(4-Aminophenyl)ethylamine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 52.04 Ų | RDKit |
| LogP | 0.7699999999999997 | RDKit |
| 0.77 | RDKit | |
| Molar Refractivity | 43.612800000000014 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 136.100048384 g/mol | RDKit |
| Boiling Point | 140-142 °C @ 12 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 136.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H12N2.
