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908-54-3

Basic Information
CAS No.: 908-54-3
Name: Diaminazene aceturate
Molecular Structure:
Molecular Structure of 908-54-3 (Diaminazene aceturate)
Formula: C22H29N9O6
Molecular Weight: 515.529
Synonyms: 4,4-(Diamino)dibenzamide diaceturate;Di-Iminazene Di Aceturate B. Vet;Diminazene Diaceturate and Antipyretic for injection (granule);Glycine, N-acetyl-, compd. with 4,4- (1-triazene-1,3-diyl)bis[benzenecarboximidamide] (2:1);Glycine, N-acetyl-, compd. with 4,4-(diazoamino)dibenzamidine (2:1);AzidesAzidin;Di-(4-amidinophenyl)-triazine-(N-1,3)-diaceturate;Glycine,N-acetyl-,compd. with 4,4'-(1-triazene-1,3-diyl)bis- [benzenecarboximidamide] (2:1);4, 4-Diamidinodiazoaminobenzene diaceturate;4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide;1,3-Bis (p-amidinophenyl)triazene bis(N-acetylglycinate);Berenil;Ganaseg;Glycine, N-acetyl-, compd. with 4, 4- (diazoamino)dibenzamidine (2:1);Di-(4-amidinophenyl)-triazen-(N-1,3)-diaceturat [German];Ganasag;Benzenecarboximidamide, 4,4-(1-triazene-1,3-diyl)bis-;Azidin;4,4-Diamidinodiazoaminobenzene diaceturate;1,3-Bis[4-guanylphenyl]triazene diaceturate;N-Acetylglycine, compound with 4,4-(1-triazene-1,3-diyl)bis(benzenecarboxamidine) (2:1);Bevenil;
EINECS: 212-999-2
Density: N/A
Melting Point: 202 °C
Boiling Point: 463.3 °C at 760 mmHg
Flash Point: 234 °C
Solubility: N/A
Appearance: solid
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 269.29000
LogP: 3.23460
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    Diminazenediaceturate

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  • High quality Diminazene aceturate

 CAS 908-54-3

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    High quality Diminazene aceturate CAS 908-54-3

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  • Casno:

    908-54-3

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Specification

The Diminazenediaceturate, with CAS registry number 908-54-3, has the systematic name of N-acetylglycine - 4-[(1E)-3-(4-carbamimidoylphenyl)triaz-1-en-1-yl]benzenecarboximidamide (2:1). This chemical is a kind of yellow powder. And it should be stored at the temperature of 0-6°C. And the chemical formula of this chemical is C22H29N9O6. What's more, its EINECS is 212-999-2.

Physical properties of Diminazenediaceturate: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.36; (4)ACD/LogD (pH 7.4): -1.36; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 59.16 Å2; (13)Flash Point: 234 °C; (14)Enthalpy of Vaporization: 72.45 kJ/mol; (15)Boiling Point: 463.3 °C at 760 mmHg; (16)Vapour Pressure: 9.21E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCC(=O)O)C.O=C(NCC(=O)O)C.N(=N/Nc1ccc(cc1)C(=[N@H])N)\c2ccc(C(=[N@H])N)cc2
(2)InChI: InChI=1/C14H15N7.2C4H7NO3/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18;2*1-3(6)5-2-4(7)8/h1-8H,(H3,15,16)(H3,17,18)(H,19,20);2*2H2,1H3,(H,5,6)(H,7,8)
(3)InChIKey: OKQSSSVVBOUMNZ-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C14H15N7.2C4H7NO3/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18;2*1-3(6)5-2-4(7)8/h1-8H,(H3,15,16)(H3,17,18)(H,19,20);2*2H2,1H3,(H,5,6)(H,7,8)
(5)Std. InChIKey: OKQSSSVVBOUMNZ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 subcutaneous 300mg/kg (300mg/kg)   Bulletin de la Societe Chimique de France. Vol. -, Pg. 376, 1968.
mouse LD50 subcutaneous 258mg/kg (258mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 6, Pg. 674, 1956.
rat LD50 subcutaneous 663mg/kg (663mg/kg)   Research in Veterinary Science. Vol. 10, Pg. 534, 1969.