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Molecule
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
Identifiers
CAS Registry Number
143-23-7
SMILES
NCCCCCCNCCCCCCN
InChI Key
MRNZSTMRDWRNNR-UHFFFAOYSA-N
InChI
InChI=1S/C12H29N3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14/h15H,1-14H2
Names and Synonyms
- Bis(Hexamethylene)Triamine Common Name
- 1,6-Hexanediamine, N1-(6-aminohexyl)- Synonym
- Dihexylamine, 6,6′-diamino- Synonym
- 1,6-Hexanediamine, N-(6-aminohexyl)- Synonym
- N1-(6-Aminohexyl)-1,6-hexanediamine Synonym
- Bis(hexamethylene)triamine Synonym
- Dihexylenetriamine Synonym
- Bis(6-aminohexyl)amine Synonym
- 1,13-Diamino-7-azatridecane Synonym
- 7-Aza-1,13-tridecanediamine Synonym
- Bis(6-aminohexamethyl)amine Synonym
- NSC 92231 Synonym
- N-(6-Aminohexyl)-1,6-hexanediamine Synonym
- BHMT-HP Synonym
- Dytek BHMT-HP Synonym
- Bis(aminohexyl)amine Synonym
- Dihexyltriamine Synonym
- Dytek BHMT Synonym
- BHMT Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 215.39 g/mol | CAS Common Chemistry |
| 215.38499999999993 g/mol | RDKit | |
| 215.385 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 |
| 1.6142 | RDKit | |
| Molar Refractivity | 67.91450000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 215.23614792799998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
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MW = 215.39 g/mol. Edit any field — others recompute live.
