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2-Aminoacetophenone
CAS: 613-89-8 | C8H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
613-89-8
Molecular Formula:
C8H9NO
Molecular Mass:
135.17 g/mol
Names and Synonyms:
2-Aminoacetophenone
Ethanone, 2-amino-1-phenyl-
Acetophenone, 2-amino-
Acetophenone, α-amino-
2-Amino-1-phenylethanone
Phenacylamine
ω-Aminoacetophenone
2-Aminoacetophenone
α-Aminoacetophenone
α-Demethylcathinone
2-Oxophenethylamine
1-Phenyl-2-aminoethanone
(2-Oxo-2-phenylethyl)amine
2-Oxo-2-phenylethanamine
Irgacure 36P
IHT 389
2-Amino-1-phenylethan-1-one
Benzoylethanamine
Identifiers:
SMILES:
NCC(=O)c1ccccc1
InChI:
InChI=1S/C8H9NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6,9H2
Key Properties
Boiling Point
251 °C
CAS Common Chemistry
Melting Point
20 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 135.17 g/mol | CAS Common Chemistry |
| 135.16599999999997 g/mol | RDKit | |
| 135.068413908 g/mol | RDKit | |
| Boiling Point | 251 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(C=1C=CC=CC1)CN | CAS Common Chemistry |
| InChI | InChI=1S/C8H9NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6,9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HEQOJEGTZCTHCF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 20 °C | CAS Common Chemistry |
| Name | 2-Aminoacetophenone | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 43.09 Ų | RDKit |
| LogP | 0.828 | RDKit |
| Molar Refractivity | 39.82690000000002 | RDKit |
