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Molecule
Spermine
CAS: 71-44-3 · C10H26N4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 71-44-3
- Molecular Formula
- C10H26N4
- Molecular Mass
- 202.35 g/mol
Identifiers
CAS Registry Number
71-44-3
SMILES
NCCCNCCCCNCCCN
InChI Key
PFNFFQXMRSDOHW-UHFFFAOYSA-N
InChI
InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
Names and Synonyms
- Spermine Synonym
- 1,4-Butanediamine, N1,N4-bis(3-aminopropyl)- Synonym
- Spermine Synonym
- 1,4-Butanediamine, N,N′-bis(3-aminopropyl)- Synonym
- N1,N4-Bis(3-aminopropyl)-1,4-butanediamine Synonym
- Gerontine Synonym
- Musculamine Synonym
- Neuridine Synonym
- 4,9-Diazadodecane-1,12-diamine Synonym
- Spermin Synonym
- N,N′-Bis(3-aminopropyl)-1,4-tetramethylenediamine Synonym
- 1,5,10,14-Tetraazatetradecane Synonym
- N,N′-Bis(3-aminopropyl)-1,4-butanediamine Synonym
- NSC 268508 Synonym
- N,N′-Bis(3-aminopropyl)butanediamine Synonym
- N,N′-Bis(3-Aminopropyl)-1,4-diaminobutane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 202.35 g/mol | CAS Common Chemistry |
| 202.34599999999995 g/mol | RDKit | |
| 202.346 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Spermine | CAS Common Chemistry |
| Canonical SMILES | NCCCNCCCCNCCCN | CAS Common Chemistry |
| InChI | InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PFNFFQXMRSDOHW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 29 °C | CAS Common Chemistry |
| Name | Spermine | CAS Common Chemistry |
| Heavy Atom Count | 14 | 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 | -0.35659999999999775 | RDKit |
| -0.3566 | RDKit | |
| Molar Refractivity | 62.31620000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 202.21574683199998 g/mol | RDKit |
| Boiling Point | 172-176 °C @ 40 Torr | CAS Common Chemistry |
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 = 202.35 g/mol. Edit any field — others recompute live.
