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Diethylenetriamine
CAS: 111-40-0 | C4H13N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
111-40-0
Molecular Formula:
C4H13N3
Molecular Mass:
103.17 g/mol
Names and Synonyms:
Diethylenetriamine
1,2-Ethanediamine, N1-(2-aminoethyl)-
Diethylenetriamine
1,2-Ethanediamine, N-(2-aminoethyl)-
N1-(2-Aminoethyl)-1,2-ethanediamine
3-Azapentane-1,5-diamine
Bis(β-aminoethyl)amine
2,2′-Diaminodiethylamine
Bis(2-aminoethyl)amine
N,N-Bis(2-aminoethyl)amine
1,4,7-Triazaheptane
1,5-Diamino-3-azapentane
N-(2-Aminoethyl)-1,2-ethanediamine
ChS-P 1
N-(2-Aminoethyl)ethylenediamine
2,2′-Iminobis(ethanamine)
2-(2-Aminoethylamino)ethylamine
DEH 20
H 9506
Ancamine DETA
Epon 3223
Epicure T
DETA
NSC 446
NCI 138881
Epicure 3223
JER Cure T
JER-T
Epicure 3290
P 11 (crosslinking agent)
P 11
3-Azapentanediyl-1,5-diamine
D 93856
ChS-P 11
FS-B 412
Epikure 3223
N1-(2-Aminoethyl)ethane-1,2-diamine
Amosil 4H
D 1551
Aradur HY 950BR
Identifiers:
SMILES:
NCCNCCN
InChI:
InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2
Key Properties
Boiling Point
207 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-39 °C
CAS Common Chemistry
Density
0.96 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 | 103.17 g/mol | CAS Common Chemistry |
| 103.16900000000001 g/mol | RDKit | |
| 103.11094741599999 g/mol | RDKit | |
| Density | 0.96 g/cm³ | CAS Common Chemistry |
| 0.9586 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diethylenetriamine | CAS Common Chemistry |
| Boiling Point | 207 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | NCCNCCN | CAS Common Chemistry |
| InChI | InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=RPNUMPOLZDHAAY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -39 °C | CAS Common Chemistry |
| Name | Diethylenetriamine | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 64.07 Ų | RDKit |
| LogP | -1.506599999999999 | RDKit |
| Molar Refractivity | 30.978499999999997 | RDKit |
