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N1,N1-Dibutyl-1,2-Ethanediamine
CAS: 3529-09-7 | C10H24N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3529-09-7
Molecular Formula:
C10H24N2
Molecular Mass:
172.32 g/mol
Names and Synonyms:
N1,N1-Dibutyl-1,2-Ethanediamine
1,2-Ethanediamine, N1,N1-dibutyl-
Ethylenediamine, N,N-dibutyl-
1,2-Ethanediamine, N,N-dibutyl-
N1,N1-Dibutyl-1,2-ethanediamine
N,N-Dibutylethylenediamine
2-(Dibutylamino)ethylamine
N,N-Dibutyl-1,2-ethanediamine
NSC 100948
N,N-Dibutyl-1,2-diaminoethane
(2-Aminoethyl)dibutylamine
1,2-Ethanediamine N1,N1-dibutyl-
Identifiers:
SMILES:
CCCCN(CCN)CCCC
InChI:
InChI=1S/C10H24N2/c1-3-5-8-12(10-7-11)9-6-4-2/h3-11H2,1-2H3
Key Properties
Boiling Point
98-101 °C @ Press: 13 Torr
CAS Common Chemistry
Melting Point
187-188 °C
CAS Common Chemistry
Density
0.83 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 | 172.32 g/mol | CAS Common Chemistry |
| 172.31599999999997 g/mol | RDKit | |
| 172.19394876799998 g/mol | RDKit | |
| Density | 0.83 g/cm³ | CAS Common Chemistry |
| 0.8255 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 98-101 °C @ Press: 13 Torr | CAS Common Chemistry |
| Canonical SMILES | NCCN(CCCC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H24N2/c1-3-5-8-12(10-7-11)9-6-4-2/h3-11H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PWNDYKKNXVKQJO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 187-188 °C | CAS Common Chemistry |
| Name | N1,N1-Dibutyl-1,2-ethanediamine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
| LogP | 1.8472999999999997 | RDKit |
| Molar Refractivity | 55.31040000000004 | RDKit |
