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Molecule
Dipentylamine
CAS: 2050-92-2 · C10H23N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2050-92-2
- Molecular Formula
- C10H23N
- Molecular Mass
- 157.30 g/mol
Identifiers
CAS Registry Number
2050-92-2
SMILES
CCCCCNCCCCC
InChI Key
JACMPVXHEARCBO-UHFFFAOYSA-N
InChI
InChI=1S/C10H23N/c1-3-5-7-9-11-10-8-6-4-2/h11H,3-10H2,1-2H3
Names and Synonyms
- Dipentylamine Synonym
- 1-Pentanamine, N-pentyl- Synonym
- Dipentylamine Synonym
- N-Pentyl-1-pentanamine Synonym
- Diamylamine Synonym
- Di-n-amylamine Synonym
- Di-n-pentylamine Synonym
- Dipentanamine Synonym
- NSC 6329 Synonym
- N,N-Dipentylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 157.30 g/mol | CAS Common Chemistry |
| 157.301 g/mol | RDKit | |
| Density | 0.78 g/cm³ | CAS Common Chemistry |
| 0.7771 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 202.5 °C | CAS Common Chemistry |
| Canonical SMILES | N(CCCCC)CCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H23N/c1-3-5-7-9-11-10-8-6-4-2/h11H,3-10H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JACMPVXHEARCBO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -7.85 °C | CAS Common Chemistry |
| Name | Dipentylamine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 2.9564000000000012 | RDKit |
| 2.9564 | RDKit | |
| Molar Refractivity | 51.919700000000034 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 157.183049736 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 = 157.30 g/mol; density = 0.780 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H23N.
