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1-Aminopentane
CAS: 110-58-7 | C5H13N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
110-58-7
Molecular Formula:
C5H13N
Molecular Weight:
87.16600000000001 g/mol
Names and Synonyms:
1-Aminopentane
1-Pentanamine
Pentylamine
1-Aminopentane
Amylamine
Monoamylamine
Norleucamine
n-Pentylamine
n-Amylamine
1-Pentylamine
Monopentylamine
NSC 7906
Identifiers:
SMILES:
CCCCCN
InChI:
InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 87.16600000000001 g/mol | RDKit |
| Exact | Exact Molecular Weight | 87.10479941599999 g/mol | RDKit |
| Heavy | Heavy Atom Count | 6 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 3 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 26.02 Ų | RDKit |
| Physical Properties | LogP | 1.1353 | RDKit |
| molecular_mass | 87.17 g/mol | Legacy Database | |
| density | 0.76 g/cm³ | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/1-Aminopentane | Legacy Database | |
| cas-boiling-point | 104.3 °C | Legacy Database | |
| cas-canonical-smile | NCCCCC | Legacy Database | |
| cas-density | 0.7589 g/cm3 @ Temp: 20 °C | Legacy Database | |
| cas-inchi | InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3 | Legacy Database | |
| cas-inchi-key | InChIKey=DPBLXKKOBLCELK-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | -55 °C | Legacy Database | |
| cas-name | Pentylamine | Legacy Database | |
| wikipedia-name | 1-Aminopentane | Legacy Database | |
| Molar | Molar Refractivity | 28.57939999999999 | RDKit |
