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Molecule
N1-[3-(Dimethylamino)Propyl]-N1,N3,N3-Trimethyl-1,3-Propanediamine
CAS: 3855-32-1 · C11H27N3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3855-32-1
- Molecular Formula
- C11H27N3
- Molecular Mass
- 201.36 g/mol
Identifiers
CAS Registry Number
3855-32-1
SMILES
CN(C)CCCN(C)CCCN(C)C
InChI Key
SKCNNQDRNPQEFU-UHFFFAOYSA-N
InChI
InChI=1S/C11H27N3/c1-12(2)8-6-10-14(5)11-7-9-13(3)4/h6-11H2,1-5H3
Names and Synonyms
- N1-[3-(Dimethylamino)Propyl]-N1,N3,N3-Trimethyl-1,3-Propanediamine Synonym
- 1,3-Propanediamine, N1-[3-(dimethylamino)propyl]-N1,N3,N3-trimethyl- Synonym
- Dipropylamine, 3,3′-bis(dimethylamino)-N-methyl- Synonym
- 1,3-Propanediamine, N-[3-(dimethylamino)propyl]-N,N′,N′-trimethyl- Synonym
- N1-[3-(Dimethylamino)propyl]-N1,N3,N3-trimethyl-1,3-propanediamine Synonym
- Polycat 77 Synonym
- N,N,N′,N′′,N′′-Pentamethyldipropylenetriamine Synonym
- N,N,N′,N′,N′′-Pentamethyliminobis(propylamine) Synonym
- 2,6,10-Trimethyl-2,6,10-triazaundecane Synonym
- N,N,N′,N′′,N′′-Pentamethyldi-1,3-propylenetriamine Synonym
- 3,3′-Bis(dimethylaminopropyl)methylamine Synonym
- Pentamethyliminobispropylamine Synonym
- N,N,N′,N′,N′-Pentamethyldipropylenetriamine Synonym
- NSC 123346 Synonym
- N-[3-(Dimethylamino)propyl]-N,N′,N′-trimethyl-1,3-propanediamine Synonym
- 3,3′-Bis(dimethylamino)-N-methyldipropylamine Synonym
- N-Methyl-N,N-bis(3-dimethylaminopropyl)amine Synonym
- Jeffcat ZR 40 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 201.36 g/mol | CAS Common Chemistry |
| 201.35799999999998 g/mol | RDKit | |
| 201.358 g/mol | RDKit | |
| 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 |
| 9.03 Ų | chempirical lib | |
| LogP | 0.8216000000000003 | RDKit |
| 0.8216 | RDKit | |
| Molar Refractivity | 63.839000000000055 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 201.22049786399998 g/mol | RDKit |
| Boiling Point | 100-102 °C @ 11 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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40
20
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| Shift (ppm) | DEPT | Assignment |
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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 = 201.36 g/mol. Edit any field — others recompute live.
