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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 Mass:
145.25 g/mol
Names and Synonyms:
Spermidine
1,4-Butanediamine, N1-(3-aminopropyl)-
Spermidine
1,4-Butanediamine, N-(3-aminopropyl)-
N1-(3-Aminopropyl)-1,4-butanediamine
4-Azaoctane-1,8-diamine
Spermidin
N-(4-Aminobutyl)-1,3-diaminopropane
1,5,10-Triazadecane
N-(3-Aminopropyl)-1,4-butanediamine
N-(3-Aminopropyl)-4-aminobutylamine
N-(3-Aminopropyl)-1,4-diaminobutane
1,8-Diamino-4-azaoctane
(4-Aminobutyl)(3-aminopropyl)amine
Identifiers:
SMILES:
NCCCCNCCCN
InChI:
InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
Key Properties
Boiling Point
129 °C
CAS Common Chemistry
Melting Point
<25 °C
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 | 145.25 g/mol | CAS Common Chemistry |
| 145.15789760799998 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 44.82950000000002 | RDKit |
