4-Quinazolinamine,N-(3-bromophenyl)-6,7-dimethoxy-, hydrochloride (1:1) supplier

Name
PD153035 HCl
EINECS
CAS No. 183322-45-4
Density
Solubility
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
Appearance
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;
PSA 56.27000
LogP 5.02810

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

Product Name

PD153035 HCl

4-Quinazolinamine,N-(3-bromophenyl)-6,7-dimethoxy-, hydrochloride (1:1) Specification

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