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Dipentylamine
CAS: 2050-92-2 | C10H23N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2050-92-2
Molecular Formula:
C10H23N
Molecular Mass:
157.30 g/mol
Names and Synonyms:
Dipentylamine
1-Pentanamine, N-pentyl-
Dipentylamine
N-Pentyl-1-pentanamine
Diamylamine
Di-n-amylamine
Di-n-pentylamine
Dipentanamine
NSC 6329
N,N-Dipentylamine
Identifiers:
SMILES:
CCCCCNCCCCC
InChI:
InChI=1S/C10H23N/c1-3-5-7-9-11-10-8-6-4-2/h11H,3-10H2,1-2H3
Key Properties
Boiling Point
202.5 °C
CAS Common Chemistry
Melting Point
-7.85 °C
CAS Common Chemistry
Density
0.78 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 157.30 g/mol | CAS Common Chemistry |
| 157.301 g/mol | RDKit | |
| 157.183049736 g/mol | RDKit | |
| Density | 0.78 g/cm³ | CAS Common Chemistry |
| 0.7771 g/cm3 @ Temp: 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 |
| Molar Refractivity | 51.919700000000034 | RDKit |
