CAS No.943736-58-1,2-Amino-4-chloro-5H-pyrrolo[3,2-d]pyrimidine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	943736-58-1
Name:	2-Amino-4-chloro-5H-pyrrolo[3,2-d]pyrimidine

Formula:	C₆H₅ClN₄
Molecular Weight:	168.585
Synonyms:	5H-Pyrrolo[3,2-d]pyrimidin-2-amine, 4-chloro-;
Density:	1.643 g/cm³
Boiling Point:	472.3 °C at 760 mmHg
Flash Point:	239.4 °C
PSA:	67.59000
LogP:	1.77470

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Specification

The 4-Chloro-5H-pyrrolo[3,2-d]pyrimidin-2-amine, with the CAS registry number 943736-58-1, is also known as 5H-Pyrrolo[3,2-d]pyrimidin-2-amine, 4-chloro-. It belongs to the product category of Chiral Chemicals. This chemical's molecular formula is C₆H₅ClN₄ and molecular weight is 168.58. Its systematic name is called 4-chloro-5H-pyrrolo[2,3-e]pyrimidin-2-amine.

Physical properties of 4-Chloro-5H-pyrrolo[3,2-d]pyrimidin-2-amine: (1)ACD/LogP: 0.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.75; (4)ACD/LogD (pH 7.4): 0.84 ; (5)#H bond acceptors: 4; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 0; (8)Index of Refraction: 1.8; (9)Molar Refractivity: 43.84 cm³; (10)Molar Volume: 102.5 cm³; (11)Surface Tension: 95.6 dyne/cm; (12)Density: 1.643 g/cm³; (13)Flash Point: 239.4 °C; (14)Enthalpy of Vaporization: 73.52 kJ/mol; (15)Boiling Point: 472.3 °C at 760 mmHg; (16)Vapour Pressure: 4.33E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(N)nc2ccnc12
(2)InChI: InChI=1/C6H5ClN4/c7-5-4-3(1-2-9-4)10-6(8)11-5/h1-2,9H,(H2,8,10,11)
(3)InChIKey: NCSPBRYDQWLYLE-UHFFFAOYAI