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N1-[3-(Dimethylamino)Propyl]-N1,N3,N3-Trimethyl-1,3-Propanediamine
CAS: 3855-32-1 | C11H27N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3855-32-1
Molecular Formula:
C11H27N3
Molecular Mass:
201.36 g/mol
Names and Synonyms:
N1-[3-(Dimethylamino)Propyl]-N1,N3,N3-Trimethyl-1,3-Propanediamine
1,3-Propanediamine, N1-[3-(dimethylamino)propyl]-N1,N3,N3-trimethyl-
Dipropylamine, 3,3′-bis(dimethylamino)-N-methyl-
1,3-Propanediamine, N-[3-(dimethylamino)propyl]-N,N′,N′-trimethyl-
N1-[3-(Dimethylamino)propyl]-N1,N3,N3-trimethyl-1,3-propanediamine
Polycat 77
N,N,N′,N′′,N′′-Pentamethyldipropylenetriamine
N,N,N′,N′,N′′-Pentamethyliminobis(propylamine)
2,6,10-Trimethyl-2,6,10-triazaundecane
N,N,N′,N′′,N′′-Pentamethyldi-1,3-propylenetriamine
3,3′-Bis(dimethylaminopropyl)methylamine
Pentamethyliminobispropylamine
N,N,N′,N′,N′-Pentamethyldipropylenetriamine
NSC 123346
N-[3-(Dimethylamino)propyl]-N,N′,N′-trimethyl-1,3-propanediamine
3,3′-Bis(dimethylamino)-N-methyldipropylamine
N-Methyl-N,N-bis(3-dimethylaminopropyl)amine
Jeffcat ZR 40
Identifiers:
SMILES:
CN(C)CCCN(C)CCCN(C)C
InChI:
InChI=1S/C11H27N3/c1-12(2)8-6-10-14(5)11-7-9-13(3)4/h6-11H2,1-5H3
Key Properties
Boiling Point
100-102 °C @ Press: 11 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 | 201.36 g/mol | CAS Common Chemistry |
| 201.35799999999998 g/mol | RDKit | |
| 201.22049786399998 g/mol | RDKit | |
| Boiling Point | 100-102 °C @ Press: 11 Torr | CAS Common Chemistry |
| Canonical SMILES | N(C)(C)CCCN(C)CCCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H27N3/c1-12(2)8-6-10-14(5)11-7-9-13(3)4/h6-11H2,1-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SKCNNQDRNPQEFU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N1-[3-(Dimethylamino)propyl]-N1,N3,N3-trimethyl-1,3-propanediamine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.72 Ų | RDKit |
| LogP | 0.8216000000000003 | RDKit |
| Molar Refractivity | 63.839000000000055 | RDKit |
