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Molecule
Norspermidine
CAS: 56-18-8 · C6H17N3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 56-18-8
- Molecular Formula
- C6H17N3
- Molecular Mass
- 131.22 g/mol
Identifiers
CAS Registry Number
56-18-8
SMILES
NCCCNCCCN
InChI Key
OTBHHUPVCYLGQO-UHFFFAOYSA-N
InChI
InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2
Names and Synonyms
- Norspermidine Synonym
- 1,3-Propanediamine, N1-(3-aminopropyl)- Synonym
- Dipropylamine, 3,3′-diamino- Synonym
- 1,3-Propanediamine, N-(3-aminopropyl)- Synonym
- N1-(3-Aminopropyl)-1,3-propanediamine Synonym
- 3,3′-Diaminodipropylamine Synonym
- N-3-Aminopropyl-1,3-diaminopropane Synonym
- 1-Propanamine, 3,3′-iminobis- Synonym
- 3,3′-Iminobis(propylamine) Synonym
- 4-Azaheptane-1,7-diamine Synonym
- Dipropylenetriamine Synonym
- Caldine Synonym
- P 2 (hardener) Synonym
- Bis(3-aminopropyl)amine Synonym
- 1,7-Diamino-4-azaheptane Synonym
- N-(3-Aminopropyl)-1,3-propanediamine Synonym
- sym-Norspermidine Synonym
- Norspermidine Synonym
- 4-Azaheptamethylenediamine Synonym
- 3,3′-Iminodi(propylamine) Synonym
- 1,5,9-Triazanonane Synonym
- Di(3-aminopropyl)amine Synonym
- 4-Aza-1,7-diaminoheptane Synonym
- NSC 7773 Synonym
- Di(trimethylene)triamine Synonym
- Bis(trimethylene)triamine Synonym
- N-(3-Aminopropyl)-1,3-propandiamine Synonym
- Baxxodur EC 110 Synonym
- EC 110 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 131.22 g/mol | CAS Common Chemistry |
| 131.22299999999998 g/mol | RDKit | |
| 131.223 g/mol | RDKit | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.9307 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Norspermidine | CAS Common Chemistry |
| Boiling Point | 210-230 °C | CAS Common Chemistry |
| Canonical SMILES | NCCCNCCCN | CAS Common Chemistry |
| InChI | InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=OTBHHUPVCYLGQO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -14 °C | CAS Common Chemistry |
| Name | Bis(3-aminopropyl)amine | CAS Common Chemistry |
| Norspermidine | CAS Common Chemistry | |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 64.07 Ų | RDKit |
| LogP | -0.7263999999999986 | RDKit |
| -0.7264 | RDKit | |
| Molar Refractivity | 40.212500000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 131.14224754399999 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 = 131.22 g/mol; density = 0.930 g/mL. Edit any field — others recompute live.
