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Spermine Tetrahydrochloride
CAS: 306-67-2 | C10H30Cl4N4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
306-67-2
Molecular Formula:
C10H30Cl4N4
Molecular Mass:
348.19 g/mol
Names and Synonyms:
Spermine Tetrahydrochloride
1,4-Butanediamine, N1,N4-bis(3-aminopropyl)-, hydrochloride (1:4)
1,4-Butanediamine, N,N′-bis(3-aminopropyl)-, tetrahydrochloride
Spermine hydrochloride
Spermine tetrahydrochloride
N,N′-Bis(3-aminopropyl)-1,4-butanediamine tetrahydrochloride
1,5,10,14-Tetraazoniatetradecane tetrachloride
Identifiers:
SMILES:
Cl.Cl.Cl.Cl.NCCCNCCCCNCCCN
InChI:
InChI=1S/C10H26N4.4ClH/c11-5-3-9-13-7-1-2-8-14-10-4-6-12;;;;/h13-14H,1-12H2;4*1H
Key Properties
Melting Point
310-311 °C (decomp)
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 | 348.19 g/mol | CAS Common Chemistry |
| 348.19000000000017 g/mol | RDKit | |
| 346.12245768 g/mol | RDKit | |
| Canonical SMILES | Cl.NCCCNCCCCNCCCN | CAS Common Chemistry |
| InChI | InChI=1S/C10H26N4.4ClH/c11-5-3-9-13-7-1-2-8-14-10-4-6-12;;;;/h13-14H,1-12H2;4*1H | CAS Common Chemistry |
| InChI Key | InChIKey=XLDKUDAXZWHPFH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 310-311 °C (decomp) | CAS Common Chemistry |
| Name | Spermine tetrahydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 76.1 Ų | RDKit |
| LogP | 1.3305999999999996 | RDKit |
| Molar Refractivity | 91.30820000000004 | RDKit |
