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Cumylamine
CAS: 585-32-0 | C9H13N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
585-32-0
Molecular Formula:
C9H13N
Molecular Weight:
135.20999999999998 g/mol
Names and Synonyms:
Cumylamine
2-Phenyl-2-propanamine
NSC 66156
1-Methyl-1-phenylethylamine
Cumylamine
1-Phenylisopropylamine
2-Amino-2-phenylpropane
(2-Phenyl-2-propyl)amine
α,α-Dimethylbenzylamine
α,α-Dimethylbenzenemethanamine
Benzylamine, α,α-dimethyl-
Benzenemethanamine, α,α-dimethyl-
Identifiers:
SMILES:
CC(C)(N)c1ccccc1
InChI:
InChI=1S/C9H13N/c1-9(2,10)8-6-4-3-5-7-8/h3-7H,10H2,1-2H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 135.21 g/mol | Legacy Database |
| cas-boiling-point | 196.5 °C None | Legacy Database |
| cas-canonical-smile | NC(C=1C=CC=CC1)(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C9H13N/c1-9(2,10)8-6-4-3-5-7-8/h3-7H,10H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=KDFDOINBXBEOLZ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 129-131 °C None | Legacy Database |
| cas-name | Cumylamine None | Legacy Database |
| LogP | 1.8804 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 135.20999999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 135.104799416 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 43.65540000000002 | RDKit |
