CAS No.165807-06-7,4-Pyrimidinecarboxaldehyde, 2-amino- (9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	165807-06-7
Name:	4-Pyrimidinecarboxaldehyde, 2-amino- (9CI)
Article Data:	8

Formula:	C₅H₅N₃O
Molecular Weight:	123.114
Synonyms:	2-Aminopyrimidine-4-carboxaldehyde;
Density:	1.37 g/cm³
Boiling Point:	372.7 °C at 760 mmHg
Flash Point:	179.2 °C
PSA:	69.60000
LogP:	-0.19860

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Specification

This chemical is called 4-Pyrimidinecarboxaldehyde, 2-amino-, and its systematic name is 2-aminopyrimidine-4-carbaldehyde. With the molecular formula of C₅H₅N₃O, its molecular weight is 123.11. The CAS registry number of this chemical is 165807-06-7. Additionally, its product categories are Pyrimidine; Pharmacetical.

Other characteristics of the 4-Pyrimidinecarboxaldehyde, 2-amino- can be summarised as followings: (1)ACD/LogP: 0.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.33; (4)ACD/LogD (pH 7.4): 0.33; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.76; (8)ACD/KOC (pH 7.4): 8.76; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 68.87 Å²; (13)Index of Refraction: 1.666; (14)Molar Refractivity: 33.42 cm³; (15)Molar Volume: 89.8 cm³; (16)Polarizability: 13.25×10^-24cm³; (17)Surface Tension: 77.4 dyne/cm; (18)Density: 1.37 g/cm³; (19)Flash Point: 179.2 °C; (20)Enthalpy of Vaporization: 61.98 kJ/mol; (21)Boiling Point: 372.7 °C at 760 mmHg; (22)Vapour Pressure: 9.47E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=Cc1ccnc(N)n1
2.InChI: InChI=1/C5H5N3O/c6-5-7-2-1-4(3-9)8-5/h1-3H,(H2,6,7,8)
3.InChIKey: JFGUYYUCZSRMCF-UHFFFAOYAK