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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
Names and Synonyms:
Dimethylhexadecylamine
1-Hexadecanamine, N,N-dimethyl-
Dimethylpalmitylamine
Bairdcat B 16
Genamin 16R302D
N,N-Dimethylpalmitylamine
IPL 67
N-Hexadecyldimethylamine
Farmin DM 60
Dabco B 16
NSC 404177
NSC 8493
Farmin DM 6098
AT 1695
Barlene 16S
Nissan Tertiary Amine PB
ADMA 16
Armeen 2M16D
Lipomin DM 16D
N-Cetyl-N,N-dimethylamine
DM 6098
Hexadecylamine, N,N-dimethyl-
N,N-Dimethyl-1-hexadecanamine
N,N-Dimethylhexadecylamine
N,N-Dimethylcetylamine
Dimethylhexadecylamine
Cetyldimethylamine
Hexadecyldimethylamine
Dimethylcetylamine
Armeen DM 16D
Palmityldimethylamine
N,N-Dimethyl-n-hexadecylamine
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCN(C)C
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
Key Properties
Boiling Point
203-205 °C @ Press: 17 Torr
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 | 269.52 g/mol | CAS Common Chemistry |
| 269.51699999999994 g/mol | RDKit | |
| 269.308250248 g/mol | RDKit | |
| Boiling Point | 203-205 °C @ Press: 17 Torr | CAS Common Chemistry |
| 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 |
| LogP | 6.029300000000006 | RDKit |
| Molar Refractivity | 88.86600000000008 | RDKit |
