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N,N,N′-Trimethyl-1,3-Propanediamine
CAS: 4543-96-8 | C6H16N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4543-96-8
Molecular Formula:
C6H16N2
Molecular Mass:
116.21 g/mol
Names and Synonyms:
N,N,N′-Trimethyl-1,3-Propanediamine
1,3-Propanediamine, N1,N1,N3-trimethyl-
1,3-Propanediamine, N,N,N′-trimethyl-
N1,N1,N3-Trimethyl-1,3-propanediamine
N,N,N′-Trimethyltrimethylenediamine
N,N,N′-Trimethyl-1,3-propanediamine
N,N,N′-Trimethyl-1,3-diaminopropane
N-(3-Dimethylaminopropyl)-N-methylamine
(3-Dimethylaminopropyl)methylamine
Methyl[3-(dimethylamino)propyl]amine
3-(Dimethylamino)-N-methylpropylamine
N-(3-Dimethylaminopropyl)methylamine
N,N,N′-Trimethylpropan-1,3-diamine
N1,N1,N3-Trimethylpropane-1,3-diamine
Identifiers:
SMILES:
CNCCCN(C)C
InChI:
InChI=1S/C6H16N2/c1-7-5-4-6-8(2)3/h7H,4-6H2,1-3H3
Key Properties
Boiling Point
140-142 °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 | 116.21 g/mol | CAS Common Chemistry |
| 116.208 g/mol | RDKit | |
| 116.13134851199999 g/mol | RDKit | |
| Boiling Point | 140-142 °C | CAS Common Chemistry |
| Canonical SMILES | N(C)CCCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H16N2/c1-7-5-4-6-8(2)3/h7H,4-6H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SORARJZLMNRBAQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,N,N′-Trimethyl-1,3-propanediamine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 15.27 Ų | RDKit |
| LogP | 0.15749999999999997 | RDKit |
| Molar Refractivity | 37.097699999999996 | RDKit |
Related Molecules
Other compounds with formula C6H16N2
