Back to Search
Molecule
Dimethylhexadecylamine
CAS: 112-69-6 · C18H39N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 112-69-6
- Molecular Formula
- C18H39N
- Molecular Mass
- 269.52 g/mol
Identifiers
CAS Registry Number
112-69-6
SMILES
CCCCCCCCCCCCCCCCN(C)C
InChI Key
NHLUVTZJQOJKCC-UHFFFAOYSA-N
InChI
InChI=1S/C18H39N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h4-18H2,1-3H3
Names and Synonyms
- Dimethylhexadecylamine Synonym
- 1-Hexadecanamine, N,N-dimethyl- Synonym
- Dimethylpalmitylamine Synonym
- Bairdcat B 16 Synonym
- Genamin 16R302D Synonym
- N,N-Dimethylpalmitylamine Synonym
- IPL 67 Synonym
- N-Hexadecyldimethylamine Synonym
- Farmin DM 60 Synonym
- Dabco B 16 Synonym
- NSC 404177 Synonym
- NSC 8493 Synonym
- Farmin DM 6098 Synonym
- AT 1695 Synonym
- Barlene 16S Synonym
- Nissan Tertiary Amine PB Synonym
- ADMA 16 Synonym
- Armeen 2M16D Synonym
- Lipomin DM 16D Synonym
- N-Cetyl-N,N-dimethylamine Synonym
- DM 6098 Synonym
- Hexadecylamine, N,N-dimethyl- Synonym
- N,N-Dimethyl-1-hexadecanamine Synonym
- N,N-Dimethylhexadecylamine Synonym
- N,N-Dimethylcetylamine Synonym
- Dimethylhexadecylamine Synonym
- Cetyldimethylamine Synonym
- Hexadecyldimethylamine Synonym
- Dimethylcetylamine Synonym
- Armeen DM 16D Synonym
- Palmityldimethylamine Synonym
- N,N-Dimethyl-n-hexadecylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 269.52 g/mol | CAS Common Chemistry |
| 269.51699999999994 g/mol | RDKit | |
| 269.517 g/mol | RDKit | |
| Canonical SMILES | N(C)(C)CCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H39N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h4-18H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NHLUVTZJQOJKCC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Dimethylhexadecylamine | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 15 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 6.029300000000006 | RDKit |
| 6.0293 | RDKit | |
| Molar Refractivity | 88.86600000000008 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 269.308250248 g/mol | RDKit |
| Boiling Point | 203-205 °C @ 17 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 269.52 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C18H39N.
