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Bis(Hexamethylene)Triamine
CAS: 143-23-7 | C12H29N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
143-23-7
Molecular Formula:
C12H29N3
Molecular Mass:
215.39 g/mol
Names and Synonyms:
Bis(Hexamethylene)Triamine
1,6-Hexanediamine, N1-(6-aminohexyl)-
Dihexylamine, 6,6′-diamino-
1,6-Hexanediamine, N-(6-aminohexyl)-
N1-(6-Aminohexyl)-1,6-hexanediamine
Bis(hexamethylene)triamine
Dihexylenetriamine
Bis(6-aminohexyl)amine
1,13-Diamino-7-azatridecane
7-Aza-1,13-tridecanediamine
Bis(6-aminohexamethyl)amine
NSC 92231
N-(6-Aminohexyl)-1,6-hexanediamine
BHMT-HP
Dytek BHMT-HP
Bis(aminohexyl)amine
Dihexyltriamine
Dytek BHMT
BHMT
Identifiers:
SMILES:
NCCCCCCNCCCCCCN
InChI:
InChI=1S/C12H29N3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14/h15H,1-14H2
Key Properties
Boiling Point
220 °C
CAS Common Chemistry
Melting Point
33 °C
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 | 215.39 g/mol | CAS Common Chemistry |
| 215.38499999999993 g/mol | RDKit | |
| 215.23614792799998 g/mol | RDKit | |
| Boiling Point | 220 °C | CAS Common Chemistry |
| Canonical SMILES | NCCCCCCNCCCCCCN | CAS Common Chemistry |
| InChI | InChI=1S/C12H29N3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14/h15H,1-14H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MRNZSTMRDWRNNR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 33 °C | CAS Common Chemistry |
| Name | Bis(hexamethylene)triamine | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 64.07 Ų | RDKit |
| LogP | 1.6141999999999994 | RDKit |
| Molar Refractivity | 67.91450000000005 | RDKit |
