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Spermidine
CAS: 124-20-9 | C7H19N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
124-20-9
Molecular Formula:
C7H19N3
Molecular Weight:
145.25 g/mol
Names and Synonyms:
Spermidine
4-Azaoctane-1,8-diamine
(4-Aminobutyl)(3-aminopropyl)amine
1,8-Diamino-4-azaoctane
N-(3-Aminopropyl)-1,4-diaminobutane
N-(3-Aminopropyl)-4-aminobutylamine
N-(3-Aminopropyl)-1,4-butanediamine
1,5,10-Triazadecane
N-(4-Aminobutyl)-1,3-diaminopropane
Spermidin
N1-(3-Aminopropyl)-1,4-butanediamine
1,4-Butanediamine, N-(3-aminopropyl)-
Spermidine
1,4-Butanediamine, N1-(3-aminopropyl)-
Identifiers:
SMILES:
NCCCCNCCCN
InChI:
InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 145.25 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 145.15789760799998 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 7 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 64.07 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.3362999999999989 | RDKit |
| molecular_mass | 145.25 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Spermidine None | Legacy Database |
| cas-boiling-point | 129 °C None | Legacy Database |
| cas-canonical-smile | NCCCNCCCCN None | Legacy Database |
| cas-inchi | InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2 None | Legacy Database |
| cas-inchi-key | InChIKey=ATHGHQPFGPMSJY-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | <25 °C None | Legacy Database |
| cas-name | Spermidine None | Legacy Database |
| wikipedia-name | Spermidine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 44.82950000000002 | RDKit |
