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Molecule
Spermine Tetrahydrochloride
CAS: 306-67-2 · C10H30Cl4N4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 306-67-2
- Molecular Formula
- C10H30Cl4N4
- Molecular Mass
- 348.19 g/mol
Identifiers
CAS Registry Number
306-67-2
SMILES
Cl.Cl.Cl.Cl.NCCCNCCCCNCCCN
InChI Key
XLDKUDAXZWHPFH-UHFFFAOYSA-N
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
Names and Synonyms
- Spermine Tetrahydrochloride Synonym
- 1,4-Butanediamine, N1,N4-bis(3-aminopropyl)-, hydrochloride (1:4) Synonym
- 1,4-Butanediamine, N,N′-bis(3-aminopropyl)-, tetrahydrochloride Synonym
- Spermine hydrochloride Synonym
- Spermine tetrahydrochloride Synonym
- N,N′-Bis(3-aminopropyl)-1,4-butanediamine tetrahydrochloride Synonym
- 1,5,10,14-Tetraazoniatetradecane tetrachloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 348.19 g/mol | CAS Common Chemistry |
| 348.19000000000017 g/mol | RDKit | |
| 348.178 g/mol | chempirical lib | |
| 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 |
| 1.3306 | RDKit | |
| Molar Refractivity | 91.30820000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 346.12245768 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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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.
External Resources
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MW = 348.19 g/mol. Edit any field — others recompute live.
