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Molecule
2,2′-Azobis[2-(2-Imidazolin-2-Yl)Propane] Dihydrochloride
CAS: 27776-21-2 · C12H24Cl2N6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 27776-21-2
- Molecular Formula
- C12H24Cl2N6
- Molecular Mass
- 323.27 g/mol
Identifiers
CAS Registry Number
27776-21-2
SMILES
CC(C)(N=NC(C)(C)C1=NCCN1)C1=NCCN1.Cl.Cl
InChI Key
LBSPZZSGTIBOFG-UHFFFAOYSA-N
InChI
InChI=1S/C12H22N6.2ClH/c1-11(2,9-13-5-6-14-9)17-18-12(3,4)10-15-7-8-16-10;;/h5-8H2,1-4H3,(H,13,14)(H,15,16);2*1H
Names and Synonyms
- 2,2′-Azobis[2-(2-Imidazolin-2-Yl)Propane] Dihydrochloride Systematic Name
- 1H-Imidazole, 2,2′-[1,2-diazenediylbis(1-methylethylidene)]bis[4,5-dihydro-, hydrochloride (1:2) Synonym
- 1H-Imidazole, 2,2′-[azobis(1-methylethylidene)]bis[4,5-dihydro-, dihydrochloride Synonym
- 2,2′-(Azodiisopropylidene)di-2-imidazoline dihydrochloride Synonym
- 2,2′-Azobis(2-imidazolinylpropane) dihydrochloride Synonym
- VA 044 Synonym
- 2,2′-Azobis[2-(2-imidazolin-2-yl)propane] dihydrochloride Synonym
- Vazo 044 Synonym
- Wako VA 044 Synonym
- Vazo 44WSP Synonym
- V 44 Synonym
- AIBI Synonym
- 2,2′-Azobis[2-(imidazolin-2-yl)propane] dihydrochloride Synonym
- AIPH Synonym
- VA 44 Synonym
- 2,2′-Azobis(N,N′-dimethyleneisobutyroamidine) hydrochloride Synonym
- 2,2′-Azobis(2-imidazolinepropane) dihydrochloride Synonym
- 1,2-Bis(2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl)diazene dihydrochloride Synonym
- V 044 Synonym
- VA 440 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 323.27 g/mol | CAS Common Chemistry |
| 323.272 g/mol | RDKit | |
| 323.266 g/mol | chempirical lib | |
| Canonical SMILES | Cl.N(=NC(C1=NCCN1)(C)C)C(C2=NCCN2)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H22N6.2ClH/c1-11(2,9-13-5-6-14-9)17-18-12(3,4)10-15-7-8-16-10;;/h5-8H2,1-4H3,(H,13,14)(H,15,16);2*1H | CAS Common Chemistry |
| InChI Key | InChIKey=LBSPZZSGTIBOFG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,2′-Azobis[2-(2-imidazolin-2-yl)propane] dihydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 73.5 Ų | RDKit |
| LogP | 1.8427999999999995 | RDKit |
| 1.8428 | RDKit | |
| Molar Refractivity | 88.11940000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 322.143950128 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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 = 323.27 g/mol. Edit any field — others recompute live.
