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Norspermidine
CAS: 56-18-8 | C6H17N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
56-18-8
Molecular Formula:
C6H17N3
Molecular Weight:
131.22299999999998 g/mol
Names and Synonyms:
Norspermidine
1,3-Propanediamine, N1-(3-aminopropyl)-
Dipropylamine, 3,3′-diamino-
1,3-Propanediamine, N-(3-aminopropyl)-
N1-(3-Aminopropyl)-1,3-propanediamine
3,3′-Diaminodipropylamine
N-3-Aminopropyl-1,3-diaminopropane
1-Propanamine, 3,3′-iminobis-
3,3′-Iminobis(propylamine)
4-Azaheptane-1,7-diamine
Dipropylenetriamine
Caldine
P 2 (hardener)
Bis(3-aminopropyl)amine
1,7-Diamino-4-azaheptane
N-(3-Aminopropyl)-1,3-propanediamine
sym-Norspermidine
Norspermidine
4-Azaheptamethylenediamine
3,3′-Iminodi(propylamine)
1,5,9-Triazanonane
Di(3-aminopropyl)amine
4-Aza-1,7-diaminoheptane
NSC 7773
Di(trimethylene)triamine
Bis(trimethylene)triamine
N-(3-Aminopropyl)-1,3-propandiamine
Baxxodur EC 110
EC 110
Identifiers:
SMILES:
NCCCNCCCN
InChI:
InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2
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 | 131.22299999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 131.14224754399999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 6 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 | -0.7263999999999986 | RDKit |
| molecular_mass | 131.22 g/mol | Legacy Database |
| density | 0.93 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Norspermidine None | Legacy Database |
| cas-boiling-point | 210-230 °C None | Legacy Database |
| cas-canonical-smile | NCCCNCCCN None | Legacy Database |
| cas-density | 0.9307 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2 None | Legacy Database |
| cas-inchi-key | InChIKey=OTBHHUPVCYLGQO-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -14 °C None | Legacy Database |
| cas-name | Bis(3-aminopropyl)amine None | Legacy Database |
| wikipedia-name | Norspermidine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 40.212500000000006 | RDKit |
