CAS No.70381-75-8,Ethyl 5,6-dichloro-3,4-dihydro-2(1H)-iminoquinazoline-3-acetate hydrobromide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	70381-75-8
Name:	Ethyl 5,6-dichloro-3,4-dihydro-2(1H)-iminoquinazoline-3-acetate hydrobromide

Formula:	C₁₂H₁₃Cl₂N₃O₂^.HBr
Molecular Weight:	383.072
Synonyms:	3(4H)-Quinazolineaceticacid, 2-amino-5,6-dichloro-, ethyl ester, monohydrobromide (9CI);3(2H)-quinazolineacetic acid, 5,6-dichloro-1,4-dihydro-2-imino-, ethyl ester, hydrobromide (1:1);Ethyl (5,6-dichloro-2-imino-1,4-dihydroquinazolin-3(2H)-yl)acetate hydrobromide (1:1);Ethyl 5,6-dichloro-3,4-dihydro-2(1H)-iminoquinazoline-3-acetate hydrobromide;
Boiling Point:	459.7 °C at 760 mmHg
Flash Point:	231.8 °C
PSA:	65.42000
LogP:	3.85250

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Specification

The Ethyl 5,6-dichloro-3,4-dihydro-2(1H)-iminoquinazoline-3-acetate hydrobromide, with the cas registry number 70381-75-8, has the systematic name of ethyl (2-amino-5,6-dichloroquinazolin-3(4H)-yl)acetate hydrobromide. The molecular formula of the chemical is C₁₂H₁₃Cl₂N₃O₂^.HBr.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 45.14 Å²; (7)Flash Point: 231.8 °C; (8)Enthalpy of Vaporization: 72.03 kJ/mol; (9)Boiling Point: 459.7 °C at 760 mmHg; (10)Vapour Pressure: 1.23E-08 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Br.Clc1ccc2/N=C(\N(Cc2c1Cl)CC(=O)OCC)N
(2)InChI: InChI=1/C12H13Cl2N3O2.BrH/c1-2-19-10(18)6-17-5-7-9(16-12(17)15)4-3-8(13)11(7)14;/h3-4H,2,5-6H2,1H3,(H2,15,16);1H
(3)InChIKey: UIACKXKZPDPMBY-UHFFFAOYAD