CAS No.5318-76-3,1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea dihydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5318-76-3
Name:	1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea dihydrochloride

Formula:	C₁₉H₂₂Cl₂N₆O
Molecular Weight:	384.868
Synonyms:	1,3-Bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea dihydrochloride
EINECS:	226-179-7
Melting Point:	350° (dec)
Boiling Point:	528.1 °C at 760 mmHg
Flash Point:	273.2 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	89.91000
LogP:	3.30900

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Specification

The Imidocarb dihydrochloride, with the CAS registry number 5318-76-3, is also known as Imizocarb. Its EINECS registry number is 226-179-7. This chemical's molecular formula is C₁₉H₂₂Cl₂N₆O and molecular weight is 421.32358. What's more, its systematic name is 1,3-Bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea dihydrochloride.

Physical properties about Imidocarb dihydrochloride are: (1) ACD/LogP: -0.45; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -3.45; (4) ACD/LogD (pH 7.4): -3.41; (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: 4; (11) #Freely Rotating Bonds: 4; (12) Polar Surface Area: 54.75 Å²; (13) Flash Point: 273.2 °C; (14) Enthalpy of Vaporization: 81.79 kJ/mol; (15) Boiling Point: 528.1 °C at 760 mmHg; (16) Vapour Pressure: 1.67E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.Cl.O=C(Nc2cc(C/1=N/CCN\1)ccc2)Nc3cccc(c3)/C4=N/CCN4
(2) InChI: InChI=1/C19H20N6O.2ClH/c26-19(24-15-5-1-3-13(11-15)17-20-7-8-21-17)25-16-6-2-4-14(12-16)18-22-9-10-23-18;;/h1-6,11-12H,7-10H2,(H,20,21)(H,22,23)(H2,24,25,26);2*1H
(3) InChIKey: MLRXMTYSQKIKAK-UHFFFAOYAF

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
domestic animals - goat/sheep	LDLo	intramuscular	10mg/kg (10mg/kg)	Antibiotiki i Khimioterapiya. Antibiotics and Chemotherapy. Vol. 36(9), Pg. 34, 1991.
mouse	LD50	intramuscular	84mg/kg (84mg/kg)	Antibiotiki i Khimioterapiya. Antibiotics and Chemotherapy. Vol. 36(9), Pg. 34, 1991.
mouse	LD50	intravenous	800ug/kg (0.8mg/kg)	Antibiotiki i Khimioterapiya. Antibiotics and Chemotherapy. Vol. 36(9), Pg. 34, 1991.
mouse	LD50	subcutaneous	107mg/kg (107mg/kg)	Research in Veterinary Science. Vol. 10, Pg. 534, 1969. Link to PubMed
rat	LD50	subcutaneous	150mg/kg (150mg/kg)	Research in Veterinary Science. Vol. 10, Pg. 534, 1969. Link to PubMed