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Molecule
Norspermine
CAS: 4605-14-5 · C9H24N4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 4605-14-5
- Molecular Formula
- C9H24N4
- Molecular Mass
- 188.32 g/mol
Identifiers
CAS Registry Number
4605-14-5
SMILES
NCCCNCCCNCCCN
InChI Key
ZAXCZCOUDLENMH-UHFFFAOYSA-N
InChI
InChI=1S/C9H24N4/c10-4-1-6-12-8-3-9-13-7-2-5-11/h12-13H,1-11H2
Names and Synonyms
- Norspermine Common Name
- 4,8-Diazaundecane-1,11-diamine Synonym
- 1,3-Propanediamine, N1,N3-bis(3-aminopropyl)- Synonym
- Tripropylenetetramine Synonym
- 1,3-Propanediamine, N,N′-bis(3-aminopropyl)- Synonym
- N1,N3-Bis(3-aminopropyl)-1,3-propanediamine Synonym
- N,N′-Bis(3-aminopropyl)-1,3-diaminopropane Synonym
- Thermine Synonym
- Sermine Synonym
- 1,11-Diamino-4,8-diazaundecane Synonym
- Norspermine Synonym
- sym-Norspermine Synonym
- N,N′-Bis(3-aminopropyl)-1,3-propanediamine Synonym
- 1,5,9,13-Tetraazatridecane Synonym
- Bis(3-aminopropyl)propylenediamine Synonym
- 1,3-Bis(3-aminopropylamino)propane Synonym
- N,N′-Bis(3-aminopropyl)propane-1,3-diamine Synonym
- Triethylene 3,3,3 tetramine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 188.32 g/mol | CAS Common Chemistry |
| 188.31899999999996 g/mol | RDKit | |
| 188.319 g/mol | RDKit | |
| Canonical SMILES | NCCCNCCCNCCCN | CAS Common Chemistry |
| InChI | InChI=1S/C9H24N4/c10-4-1-6-12-8-3-9-13-7-2-5-11/h12-13H,1-11H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZAXCZCOUDLENMH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Norspermine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 76.1 Ų | RDKit |
| LogP | -0.7466999999999975 | RDKit |
| -0.7467 | RDKit | |
| Molar Refractivity | 57.69920000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 188.20009676799998 g/mol | RDKit |
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
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MW = 188.32 g/mol. Edit any field — others recompute live.
