CAS No.101257-82-3,4-Pyrimidinamine, 5-chloro- (9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	101257-82-3
Name:	4-Pyrimidinamine, 5-chloro- (9CI)

Formula:	C₄H₄ClN₃
Molecular Weight:	129.54766
Synonyms:	Pyrimidine,4-amino-5-chloro- (6CI);
Density:	1.438 g/cm³
Melting Point:	192-194℃
Boiling Point:	253.793 °C at 760 mmHg
Flash Point:	107.291 °C
PSA:	51.80000
LogP:	1.29340

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Specification

The 4-Pyrimidinamine,5-chloro- is an organic compound with the formula C₄H₄ClN₃. The systematic name of this chemical is 5-chloropyrimidin-4-amine. With the CAS registry number 101257-82-3, it is also named as 4-Amino-5-chloropyrimidine. The product's category is Pyrimidine.

Physical properties about 4-Pyrimidinamine,5-chloro- are: (1)ACD/LogP: 0.37; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 3; (5)ACD/BCF (pH 7.4): 3; (6)ACD/KOC (pH 5.5): 71; (7)ACD/KOC (pH 7.4): 76; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)Polar Surface Area: 51.8 Å²; (11)Index of Refraction: 1.618; (12)Molar Refractivity: 31.567 cm³; (13)Molar Volume: 90.112 cm³; (14)Polarizability: 12.514×10^-24cm³; (15)Surface Tension: 66.442 dyne/cm; (16)Density: 1.438 g/cm³; (17)Flash Point: 107.291 °C; (18)Enthalpy of Vaporization: 49.12 kJ/mol; (19)Boiling Point: 253.793 °C at 760 mmHg; (20)Vapour Pressure: 0.018 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1ncncc1Cl
(2)InChI: InChI=1/C4H4ClN3/c5-3-1-7-2-8-4(3)6/h1-2H,(H2,6,7,8)
(3)InChIKey: LQNBBHICRUONJT-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C4H4ClN3/c5-3-1-7-2-8-4(3)6/h1-2H,(H2,6,7,8)
(5)Std. InChIKey: LQNBBHICRUONJT-UHFFFAOYSA-N