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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
Names and Synonyms:
2,2'-Azobis(2-Amidinopropane) Dihydrochloride
Propanimidamide, 2,2′-(1,2-diazenediyl)bis[2-methyl-, hydrochloride (1:2)
Propionamidine, 2,2′-azobis[2-methyl-, dihydrochloride
Propanimidamide, 2,2′-azobis[2-methyl-, dihydrochloride
2,2′-Azobis(isobutyramidine hydrochloride)
2,2′-Azobis(2-amidinopropane) dihydrochloride
Azobis(isobutyramidine) dihydrochloride
MS 1 (catalyst)
MS 1
V 50
Azobisisobutyramidinium dichloride
2,2′-Azobisisobutyramidinium chloride
2,2′-Azobis(propane-2-carboxamidine) dihydrochloride
2,2′-Azobis(2-methylpropionamidine) dihydrochloride
2,2-Azobis(2-amidinopropane) dihydrochloride
Azostarter V 50
AAPH
2,2′-Azobisamidinopropane dihydrochloride
NC 32P
Vazo 56
VA 50
VA 50 (catalyst)
AIBA
Wako V 50
Vazo 56WSP
Vazo 56WSW
2,2′-Azobis(isobutyramidine) dihydrochloride
VA 050
2,2′-Azodiisobutyramidine dihydrochloride
Azobis(isobutyl)amidine hydrochloride
TB 2000
TB 2000 (initiator)
2,2′-Azodiisobutylamidine dihydrochloride
V 50 initiator
Vazo 55
2,2′-(Diazene-1,2-diyl)bis(2-methylpropanimidamide) dihydrochloride
DN 55549
Identifiers:
SMILES:
CC(C)(N=NC(C)(C)C(=N)N)C(=N)N.Cl.Cl
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
Key Properties
Melting Point
165-170 °C (decomp)
CAS Common Chemistry
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 | 271.20 g/mol | CAS Common Chemistry |
| 271.19599999999997 g/mol | RDKit | |
| 270.11265 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 71.33820000000001 | RDKit |
