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Molecule
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 Mass
- 149.24 g/mol
Identifiers
CAS Registry Number
30273-11-1
SMILES
CCC(C)c1ccc(N)cc1
InChI Key
NVVVQTNTLIAISI-UHFFFAOYSA-N
InChI
InChI=1S/C10H15N/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8H,3,11H2,1-2H3
Names and Synonyms
- 4-(1-Methylpropyl)Benzenamine Synonym
- Benzenamine, 4-(1-methylpropyl)- Synonym
- Aniline, p-sec-butyl- Synonym
- 4-(1-Methylpropyl)benzenamine Synonym
- p-sec-Butylaniline Synonym
- 4-sec-Butylaniline Synonym
- 4-(1-Methylpropyl)aniline Synonym
- (RS)-4-sec-Butylaniline Synonym
- 4-Amino-sec-butylbenzene Synonym
- 4-sec-Butylbenzenamine Synonym
- 4-sec-Butylphenylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 149.24 g/mol | CAS Common Chemistry |
| 149.237 g/mol | RDKit | |
| Density | 0.98 g/cm³ | CAS Common Chemistry |
| 0.9770 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 238 °C | CAS Common Chemistry |
| Canonical SMILES | NC1=CC=C(C=C1)C(C)CC | CAS Common Chemistry |
| InChI | InChI=1S/C10H15N/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8H,3,11H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NVVVQTNTLIAISI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-(1-Methylpropyl)benzenamine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 2.7823 | RDKit |
| Molar Refractivity | 49.56040000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 149.12044948 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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 = 149.24 g/mol; density = 0.980 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H15N.
