CAS No.80755-51-7,Bunazosin Suppliers

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Basic Information

Molecular Structure:
CAS No.:	80755-51-7
Name:	Bunazosin
Article Data:	1

Formula:	C₁₉H₂₇N₅O₃
Molecular Weight:	373.455
Synonyms:	1H-1,4-Diazepine,1-(4-amino-6,7-dimethoxy-2-quinazolinyl)hexahydro-4-(1-oxobutyl)- (9CI);Bunazosin;E 1015;
Density:	1.221 g/cm³
Boiling Point:	620.6 °C at 760 mmHg
Flash Point:	329.1 °C
PSA:	93.81000
LogP:	2.65210

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Specification

The Bunazosin with the CAS number 80755-51-7 is also called 1-Butanone,1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)hexahydro-1H-1,4-diazepin-1-yl]-. Both the systematic name and IUPAC name are 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]butan-1-one. Its molecular formula is C₁₉H₂₇N₅O₃.

The properties of the chemical are: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.69; (4)ACD/LogD (pH 7.4): -1.6; (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: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 71.03 Å²; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 104.72 cm³; (15)Molar Volume: 305.6 cm³; (16)Polarizability: 41.51×10^-24cm³; (17)Surface Tension: 55.3 dyne/cm; (18)Enthalpy of Vaporization: 91.97 kJ/mol; (19)Vapour Pressure: 2.52×10^-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N3CCCN(c1nc(N)c2c(n1)cc(OC)c(OC)c2)CC3)CCC
(2)InChI: InChI=1/C19H27N5O3/c1-4-6-17(25)23-7-5-8-24(10-9-23)19-21-14-12-16(27-3)15(26-2)11-13(14)18(20)22-19/h11-12H,4-10H2,1-3H3,(H2,20,21,22)
(3)InChIKey: RHLJLALHBZGAFM-UHFFFAOYAD