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| Name |
4-Quinazolinamine,N-(3-bromophenyl)-6,7-dimethoxy-, hydrochloride (1:1) |
EINECS | N/A |
| CAS No. | 183322-45-4 | Density | N/A |
| PSA | 56.27000 | LogP | 5.02810 |
| Solubility | N/A | Melting Point |
265°C(lit.) |
| Formula | C16H15BrClN3O2 | Boiling Point | 472.1 °C at 760 mmHg |
| Molecular Weight | 396.67 | Flash Point | 239.3 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-39-45 | Risk Codes | 25-37/38-41 |
| Molecular Structure |
|
Hazard Symbols | T |
| Synonyms |
6,7-Dimethoxy-4-[N-(3-bromophenyl)amino]quinazoline hydrochloride;4-Quinazolinamine,N-(3-bromophenyl)-6,7-dimethoxy-, monohydrochloride (9CI);N-(3-Bromophenyl)-6,7-dimethoxyquinazolin-4-amine hydrochloride (1:1);PD 153035 hydrochloride; |
4-Quinazolinamine,N-(3-bromophenyl)-6,7-dimethoxy-, hydrochloride (1:1) Specification
The 4-Quinazolinamine,N-(3-bromophenyl)-6,7-dimethoxy-, hydrochloride (1:1), with the CAS registry number 183322-45-4, is also known as 4-Quinazolinamine, N-(3-bromophenyl)-6,7-dimethoxy-, monohydrochloride. This chemical's molecular formula is C16H15BrClN3O2 and molecular weight is 396.67. What's more, its systematic name is N-(3-Bromophenyl)-6,7-dimethoxyquinazolin-4-amine hydrochloride (1:1).
Physical properties of 4-Quinazolinamine,N-(3-bromophenyl)-6,7-dimethoxy-, hydrochloride (1:1) are: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 2.58; (5)ACD/BCF (pH 5.5): 35.36; (6)ACD/BCF (pH 7.4): 53.63; (7)ACD/KOC (pH 5.5): 396.15; (8)ACD/KOC (pH 7.4): 600.8; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 47.48 Å2; (13)Flash Point: 239.3 °C; (14)Enthalpy of Vaporization: 73.5 kJ/mol; (15)Boiling Point: 472.1 °C at 760 mmHg; (16)Vapour Pressure: 4.38E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Brc1cccc(c1)Nc3ncnc2c3cc(OC)c(OC)c2
(2)InChI: InChI=1S/C16H14BrN3O2.ClH/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11;/h3-9H,1-2H3,(H,18,19,20);1H
(3)InChIKey: ZJOKWAWPAPMNIM-UHFFFAOYSA-N
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