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Molecule
Spermidine
CAS: 124-20-9 · C7H19N3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 124-20-9
- Molecular Formula
- C7H19N3
- Molecular Mass
- 145.25 g/mol
Identifiers
CAS Registry Number
124-20-9
SMILES
NCCCCNCCCN
InChI Key
ATHGHQPFGPMSJY-UHFFFAOYSA-N
InChI
InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
Names and Synonyms
- Spermidine Common Name
- 1,4-Butanediamine, N1-(3-aminopropyl)- Synonym
- Spermidine Synonym
- 1,4-Butanediamine, N-(3-aminopropyl)- Synonym
- N1-(3-Aminopropyl)-1,4-butanediamine Synonym
- 4-Azaoctane-1,8-diamine Synonym
- Spermidin Synonym
- N-(4-Aminobutyl)-1,3-diaminopropane Synonym
- 1,5,10-Triazadecane Synonym
- N-(3-Aminopropyl)-1,4-butanediamine Synonym
- N-(3-Aminopropyl)-4-aminobutylamine Synonym
- N-(3-Aminopropyl)-1,4-diaminobutane Synonym
- 1,8-Diamino-4-azaoctane Synonym
- (4-Aminobutyl)(3-aminopropyl)amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 145.25 g/mol | CAS Common Chemistry |
| Wikipedia Url | https://en.wikipedia.org/wiki/Spermidine | CAS Common Chemistry |
| Boiling Point | 129 °C | CAS Common Chemistry |
| Canonical SMILES | NCCCNCCCCN | CAS Common Chemistry |
| InChI | InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ATHGHQPFGPMSJY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <25 °C | CAS Common Chemistry |
| Name | Spermidine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 64.07 Ų | RDKit |
| LogP | -0.3362999999999989 | RDKit |
| -0.3363 | RDKit | |
| Molar Refractivity | 44.82950000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 145.15789760799998 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 = 145.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H19N3.
