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2,2′-Azobis[2-(2-Imidazolin-2-Yl)Propane] Dihydrochloride
CAS: 27776-21-2 | C12H24Cl2N6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
27776-21-2
Molecular Formula:
C12H24Cl2N6
Molecular Mass:
323.27 g/mol
Names and Synonyms:
2,2′-Azobis[2-(2-Imidazolin-2-Yl)Propane] Dihydrochloride
1H-Imidazole, 2,2′-[1,2-diazenediylbis(1-methylethylidene)]bis[4,5-dihydro-, hydrochloride (1:2)
1H-Imidazole, 2,2′-[azobis(1-methylethylidene)]bis[4,5-dihydro-, dihydrochloride
2,2′-(Azodiisopropylidene)di-2-imidazoline dihydrochloride
2,2′-Azobis(2-imidazolinylpropane) dihydrochloride
VA 044
2,2′-Azobis[2-(2-imidazolin-2-yl)propane] dihydrochloride
Vazo 044
Wako VA 044
Vazo 44WSP
V 44
AIBI
2,2′-Azobis[2-(imidazolin-2-yl)propane] dihydrochloride
AIPH
VA 44
2,2′-Azobis(N,N′-dimethyleneisobutyroamidine) hydrochloride
2,2′-Azobis(2-imidazolinepropane) dihydrochloride
1,2-Bis(2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl)diazene dihydrochloride
V 044
VA 440
Identifiers:
SMILES:
CC(C)(N=NC(C)(C)C1=NCCN1)C1=NCCN1.Cl.Cl
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
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 323.27 g/mol | CAS Common Chemistry |
| 323.272 g/mol | RDKit | |
| 322.143950128 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 88.11940000000003 | RDKit |
