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Molecule
1,5-Diaminopentane Dihydrochloride
CAS: 1476-39-7 · C5H16Cl2N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1476-39-7
- Molecular Formula
- C5H16Cl2N2
- Molecular Mass
- 175.10 g/mol
Identifiers
CAS Registry Number
1476-39-7
SMILES
Cl.Cl.NCCCCCN
InChI Key
FGNLEIGUMSBZQP-UHFFFAOYSA-N
InChI
InChI=1S/C5H14N2.2ClH/c6-4-2-1-3-5-7;;/h1-7H2;2*1H
Names and Synonyms
- 1,5-Diaminopentane Dihydrochloride Systematic Name
- 1,5-Pentanediamine, hydrochloride (1:2) Synonym
- 1,5-Pentanediamine, dihydrochloride Synonym
- Cadaverine dihydrochloride Synonym
- Pentamethylenediamine dihydrochloride Synonym
- 1,5-Diaminopentane dihydrochloride Synonym
- 1,5-Pentanediammonium dichloride Synonym
- Cadaverine hydrochloride Synonym
- Cadaverinium dichloride Synonym
- Cadeverine dihydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 175.10 g/mol | CAS Common Chemistry |
| 175.10299999999998 g/mol | RDKit | |
| 175.103 g/mol | RDKit | |
| 175.097 g/mol | chempirical lib | |
| Canonical SMILES | Cl.NCCCCCN | CAS Common Chemistry |
| InChI | InChI=1S/C5H14N2.2ClH/c6-4-2-1-3-5-7;;/h1-7H2;2*1H | CAS Common Chemistry |
| InChI Key | InChIKey=FGNLEIGUMSBZQP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 255 °C | CAS Common Chemistry |
| Name | 1,5-Diaminopentane dihydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.04 Ų | RDKit |
| LogP | 0.9177 | RDKit |
| Molar Refractivity | 46.45580000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 174.06905387199998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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 = 175.10 g/mol. Edit any field — others recompute live.
