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Basic Information
CAS No.: 2997-92-4
Name: 2,2'-Azobis(2-methylpropionamidine) dihydrochloride
Molecular Structure:
Molecular Structure of 2997-92-4 (2,2'-Azobis(2-methylpropionamidine) dihydrochloride)
Formula: C8H18N6.2(HCl)
Molecular Weight: 271.193
Synonyms: Propanimidamide,2,2'-azobis[2-methyl-, dihydrochloride (9CI);Propionamidine, 2,2'-azobis[2-methyl-,dihydrochloride (6CI,7CI,8CI);2,2-Azobis(2-amidinopropane) dihydrochloride;2,2'-Azobis(isobutyramidine hydrochloride);2,2'-Azobis(isobutyramidine)dihydrochloride;2,2'-Azobisamidinopropane dihydrochloride;AIBA;Azobis(isobutyramidine) dihydrochloride;Azostarter V 50;MS 1;NC32P;VA 50;Vazo 56;Vazo 56WSW;2,2'-Azobis(2-methylpropionamidine) dihydrochloride;
EINECS: 221-070-0
Density: 0.42 g/cm3
Melting Point: 175-177 °C(lit.)
Boiling Point: 336.4 °C at 760 mmHg
Flash Point: 157.3 °C
Solubility: 176.2g/L at 20℃
Appearance: light yellow crystalline powder
Hazard Symbols: HarmfulXn
Risk Codes: 22-43
Safety: 24-37
Transport Information: UN 3226
PSA: 124.46000
LogP: 4.07180
Synthetic route
2997-92-4

α,α'-azodiizobutyramidine-dihydrochloride

188526-94-5

N-(2-methyl-2-propyl)-N-(1-diethylphosphono-2,2-dimethylpropyl)aminoxyl

1034132-99-4

2-methyl-2-[N-tert-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)aminoxy]propinamidine hydrochloride

Conditions
ConditionsYield
In ethanol; water at 10℃; for 4.5h; UV-irradiation;60%
2997-92-4

α,α'-azodiizobutyramidine-dihydrochloride

C8H19N6*2ClH

Conditions
ConditionsYield
With hydroquinone In methanol at 20℃; Irradiation;
2997-92-4

α,α'-azodiizobutyramidine-dihydrochloride

methylpropionamidine radical

Conditions
ConditionsYield
With potassium phosphate; potassium chloride In acetonitrile at 22℃; Rate constant;
2997-92-4

α,α'-azodiizobutyramidine-dihydrochloride

A

C8H18N5O

B

C11H21N4O4S

Conditions
ConditionsYield
With nitrogen(II) oxide In water; dimethyl sulfoxide Photolysis;
2997-92-4

α,α'-azodiizobutyramidine-dihydrochloride

67776-06-1

S-nitroso-N-acetyl-DL-penicillamine

C11H20N5O5S

Conditions
ConditionsYield
In water; dimethyl sulfoxide at 20℃; Photolysis;
2997-92-4

α,α'-azodiizobutyramidine-dihydrochloride

S-nitrosoglutathione

C14H25N6O7S

Conditions
ConditionsYield
In water at 64.85℃;
2997-92-4

α,α'-azodiizobutyramidine-dihydrochloride

C8H18N5O

Conditions
ConditionsYield
With S-nitroso-glutathione In water at 20℃; Photolysis;
With S-nitroso-N-acetylpenicillamine In water at 59.85 - 64.85℃;
With GLUTATHIONE; nitrogen(II) oxide In water at 20℃; Photolysis;
2997-92-4

α,α'-azodiizobutyramidine-dihydrochloride

2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt

790674-36-1

2,2'-azinobis(3-ethylbenzothiazoline-6-sulfonate) cation radical

Conditions
ConditionsYield
With Britton-Robinson buffer In ethanol; water at 45℃; for 1h; pH=7.4;
2997-92-4

α,α'-azodiizobutyramidine-dihydrochloride

C4H9N2O2*ClH

Conditions
ConditionsYield
With Britton-Robinson buffer; oxygen In water; N,N-dimethyl-formamide at 37℃; pH=7.4;
100-42-5

styrene

10039-56-2

sodium hypophosphite

aluminium sulfate

2997-92-4

α,α'-azodiizobutyramidine-dihydrochloride

styrene hypophosphite adduct, aluminium salt

styrene hypophosphite adduct, aluminium salt

Conditions
ConditionsYield
Stage #1: styrene; sodium hypophosphite; α,α'-azodiizobutyramidine-dihydrochloride With acetic acid In water at 95℃; for 5h;
Stage #2: aluminium sulfate In water
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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

1.Introduction of 2,2'-Azobis(2-methylpropionamidine) dihydrochloride

2,2'-Azobis(2-methylpropionamidine) dihydrochloride,with its CAS NO 2997-92-4, is a kind of White powder.It has synonyms of Propanimidamide,2,2'-azobis[2-methyl-, dihydrochloride (9CI);Propionamidine, 2,2'-azobis[2-methyl-,dihydrochloride (6CI,7CI,8CI);2,2-Azobis(2-amidinopropane) dihydrochloride and 2,2'-Azobis(isobutyramidine hydrochloride). The 2,2'-Azobis(2-methylpropionamidine) dihydrochloride should keep away sunlight, store below 40°C and it is mainly used as polymerization initiator of cation.

2.Properties of 2,2'-Azobis(2-methylpropionamidine) dihydrochloride

(1) Molecular Weight 271.1906 [g/mol]  (2) Molecular Formula C8H20Cl2N6  (3) H-Bond Donor 6
(4) H-Bond Acceptor 4 (5)Rotatable Bond Count 4 (6) Exact Mass 270.11265 (7)MonoIsotopic Mass 270.11265
(8)Topological Polar Surface Area 125 (9)Heavy Atom Count 16 (10) Complexity 248
 

3.Structure descriptors of 2,2'-Azobis(2-methylpropionamidine) dihydrochloride

SMILES:Cl.Cl.[N@H]=C(N)C(/N=N/C(C(=[N@H])N)(C)C)(C)C

Std. 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/b14-13+;;

Std. InChIKey:LXEKPEMOWBOYRF-QDBORUFSSA-N


4.Safety information of 2,2'-Azobis(2-methylpropionamidine) dihydrochloride

The Hazard Codes of 2,2′-AZOBIS(2-METHYLPROPANIMIDAMIDE) DIHYDROCHLORIDE(2997-92-4): HarmfulXn
The Risk Statements information of 2,2′-AZOBIS(2-METHYLPROPANIMIDAMIDE) DIHYDROCHLORIDE(2997-92-4):
22:  Harmful if swallowed 
43:  May cause sensitization by skin contact 
The Safety Statements information of 2,2′-AZOBIS(2-METHYLPROPANIMIDAMIDE) DIHYDROCHLORIDE(2997-92-4):
24:  Avoid contact with skin 
37:  Wear suitable gloves 
RIDADR: UN 3226 4.1
WGK Germany: 1

5.Toxity information of 2,2'-Azobis(2-methylpropionamidine) dihydrochloride

1.    

skn-rbt 500 mg MLD

    EPASR*    United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., S.W., Washington, DC 20460) History Unknown 8EHQ-0282-0427S .
2.    

orl-rat LD50:410 mg/kg

    EPASR*    United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., S.W., Washington, DC 20460) History Unknown 8EHQ-0282-0427S .
3.    

skn-rat LD50:>5900 mg/kg

    EPASR*    United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., S.W., Washington, DC 20460) History Unknown 8EHQ-0282-0427S .