-
Name
Ethyl 5,6-dichloro-3,4-dihydro-2(1H)-iminoquinazoline-3-acetate hydrobromide
- EINECS
- CAS No. 70381-75-8
- Density
- Solubility
- Melting Point
- Formula C12H13Cl2N3O2.HBr
- Boiling Point 459.7 °C at 760 mmHg
- Molecular Weight 383.072
- Flash Point 231.8 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- 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;
- PSA 65.42000
- LogP 3.85250
Ethyl 5,6-dichloro-3,4-dihydro-2(1H)-iminoquinazoline-3-acetate hydrobromide 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
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