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4-(1-Methylpropyl)Benzenamine
CAS: 30273-11-1 | C10H15N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
30273-11-1
Molecular Formula:
C10H15N
Molecular Weight:
149.237 g/mol
Names and Synonyms:
4-(1-Methylpropyl)Benzenamine
Benzenamine, 4-(1-methylpropyl)-
Aniline, p-sec-butyl-
4-(1-Methylpropyl)benzenamine
p-sec-Butylaniline
4-sec-Butylaniline
4-(1-Methylpropyl)aniline
(RS)-4-sec-Butylaniline
4-Amino-sec-butylbenzene
4-sec-Butylbenzenamine
4-sec-Butylphenylamine
Identifiers:
SMILES:
CCC(C)c1ccc(N)cc1
InChI:
InChI=1S/C10H15N/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8H,3,11H2,1-2H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 149.237 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 149.12044948 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 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 | 26.02 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.7823 | RDKit |
| molecular_mass | 149.24 g/mol | Legacy Database |
| density | 0.98 g/cm³ | Legacy Database |
| cas-boiling-point | 238 °C None | Legacy Database |
| cas-canonical-smile | NC1=CC=C(C=C1)C(C)CC None | Legacy Database |
| cas-density | 0.9770 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C10H15N/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8H,3,11H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=NVVVQTNTLIAISI-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 4-(1-Methylpropyl)benzenamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 49.56040000000003 | RDKit |
