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Molecule
2,2'-Azobis(2-Amidinopropane) Dihydrochloride
CAS: 2997-92-4 · C8H20Cl2N6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2997-92-4
- Molecular Formula
- C8H20Cl2N6
- Molecular Mass
- 271.20 g/mol
Identifiers
CAS Registry Number
2997-92-4
SMILES
CC(C)(N=NC(C)(C)C(=N)N)C(=N)N.Cl.Cl
InChI Key
LXEKPEMOWBOYRF-UHFFFAOYSA-N
InChI
InChI=1S/C8H18N6.2ClH/c1-7(2,5(9)10)13-14-8(3,4)6(11)12;;/h1-4H3,(H3,9,10)(H3,11,12);2*1H
Names and Synonyms
- 2,2'-Azobis(2-Amidinopropane) Dihydrochloride Synonym
- Propanimidamide, 2,2′-(1,2-diazenediyl)bis[2-methyl-, hydrochloride (1:2) Synonym
- Propionamidine, 2,2′-azobis[2-methyl-, dihydrochloride Synonym
- Propanimidamide, 2,2′-azobis[2-methyl-, dihydrochloride Synonym
- 2,2′-Azobis(isobutyramidine hydrochloride) Synonym
- 2,2′-Azobis(2-amidinopropane) dihydrochloride Synonym
- Azobis(isobutyramidine) dihydrochloride Synonym
- MS 1 (catalyst) Synonym
- MS 1 Synonym
- V 50 Synonym
- Azobisisobutyramidinium dichloride Synonym
- 2,2′-Azobisisobutyramidinium chloride Synonym
- 2,2′-Azobis(propane-2-carboxamidine) dihydrochloride Synonym
- 2,2′-Azobis(2-methylpropionamidine) dihydrochloride Synonym
- 2,2-Azobis(2-amidinopropane) dihydrochloride Synonym
- Azostarter V 50 Synonym
- AAPH Synonym
- 2,2′-Azobisamidinopropane dihydrochloride Synonym
- NC 32P Synonym
- Vazo 56 Synonym
- VA 50 Synonym
- VA 50 (catalyst) Synonym
- AIBA Synonym
- Wako V 50 Synonym
- Vazo 56WSP Synonym
- Vazo 56WSW Synonym
- 2,2′-Azobis(isobutyramidine) dihydrochloride Synonym
- VA 050 Synonym
- 2,2′-Azodiisobutyramidine dihydrochloride Synonym
- Azobis(isobutyl)amidine hydrochloride Synonym
- TB 2000 Synonym
- TB 2000 (initiator) Synonym
- 2,2′-Azodiisobutylamidine dihydrochloride Synonym
- V 50 initiator Synonym
- Vazo 55 Synonym
- 2,2′-(Diazene-1,2-diyl)bis(2-methylpropanimidamide) dihydrochloride Synonym
- DN 55549 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 271.20 g/mol | CAS Common Chemistry |
| 271.19599999999997 g/mol | RDKit | |
| 271.196 g/mol | RDKit | |
| 271.19 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2,2%27-Azobis(2-amidinopropane)_dihydrochloride | CAS Common Chemistry |
| Canonical SMILES | Cl.N=C(N)C(N=NC(C(=N)N)(C)C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H18N6.2ClH/c1-7(2,5(9)10)13-14-8(3,4)6(11)12;;/h1-4H3,(H3,9,10)(H3,11,12);2*1H | CAS Common Chemistry |
| InChI Key | InChIKey=LXEKPEMOWBOYRF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 165-170 °C (decomp) | CAS Common Chemistry |
| Name | 2,2-Azobis(2-amidinopropane) dihydrochloride | CAS Common Chemistry |
| 2,2'-Azobis(2-amidinopropane) dihydrochloride | CAS Common Chemistry | |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 124.46 Ų | RDKit |
| LogP | 1.7113399999999999 | RDKit |
| 1.7113 | RDKit | |
| Molar Refractivity | 71.33820000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 270.11265 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 271.20 g/mol. Edit any field — others recompute live.
