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2-(4-Aminophenyl)Ethylamine

CAS: 13472-00-9 | C8H12N2

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 13472-00-9
Molecular Formula: C8H12N2
Molecular Weight: 136.19799999999998 g/mol

Names and Synonyms:

2-(4-Aminophenyl)Ethylamine
Benzeneethanamine, 4-amino-
Phenethylamine, p-amino-
4-Aminobenzeneethanamine
4-Aminophenylethylamine
4-Amino-β-phenylethylamine
p-(2-Aminoethyl)aniline
2-(4-Aminophenyl)ethylamine
4-Amino-β-phenethylamine
β-(4-Aminophenyl)ethylamine
4-(2-Aminoethyl)aniline
β-(p-Aminophenyl)ethylamine
p-Aminophenethylamine
4-Aminophenethylamine
2-(p-Aminophenyl)ethylamine
2-(4-Aminophenyl)phenethylamine
(p-Aminophenyl)ethylamine
4-(2-Aminoethyl)phenylamine
NSC 299558
NSC 9060
4-(2-Aminoethyl)benzenamine

Identifiers:

SMILES:
NCCc1ccc(N)cc1
InChI:
InChI=1S/C8H12N2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6,9-10H2

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.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 136.20 g/mol Legacy Database
cas-boiling-point 140-142 °C @ Press: 12 Torr None Legacy Database
cas-canonical-smile NC1=CC=C(C=C1)CCN None Legacy Database
cas-inchi InChI=1S/C8H12N2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6,9-10H2 None Legacy Database
cas-inchi-key InChIKey=LNPMZQXEPNWCMG-UHFFFAOYSA-N None Legacy Database
cas-melting-point 62-63 °C None Legacy Database
cas-name 2-(4-Aminophenyl)ethylamine None Legacy Database
LogP 0.7699999999999997 RDKit

Molecular

Property Value Source
Molecular Weight 136.19799999999998 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 136.100048384 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 10 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 2 count RDKit
Hydrogen Bond Donors 2 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 2 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 1 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 52.04 Ų RDKit

Molar

Property Value Source
Molar Refractivity 43.612800000000014 RDKit

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