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Molecule
1-Aminopentane
CAS: 110-58-7 · C5H13N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 110-58-7
- Molecular Formula
- C5H13N
- Molecular Mass
- 87.17 g/mol
Identifiers
CAS Registry Number
110-58-7
SMILES
CCCCCN
InChI Key
DPBLXKKOBLCELK-UHFFFAOYSA-N
InChI
InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3
Names and Synonyms
- 1-Aminopentane Synonym
- 1-Pentanamine Synonym
- Pentylamine Synonym
- 1-Aminopentane Synonym
- Amylamine Synonym
- Monoamylamine Synonym
- Norleucamine Synonym
- n-Pentylamine Synonym
- n-Amylamine Synonym
- 1-Pentylamine Synonym
- Monopentylamine Synonym
- NSC 7906 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 87.17 g/mol | CAS Common Chemistry |
| 87.16600000000001 g/mol | RDKit | |
| 87.166 g/mol | RDKit | |
| Density | 0.76 g/cm³ | CAS Common Chemistry |
| 0.7589 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1-Aminopentane | CAS Common Chemistry |
| Boiling Point | 104.3 °C | CAS Common Chemistry |
| Canonical SMILES | NCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DPBLXKKOBLCELK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -55 °C | CAS Common Chemistry |
| Name | Pentylamine | CAS Common Chemistry |
| 1-Aminopentane | CAS Common Chemistry | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 1.1353 | RDKit |
| Molar Refractivity | 28.57939999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 87.10479941599999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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
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MW = 87.17 g/mol; density = 0.760 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H13N.
