Pyrimidine, 4-chloro-2-methyl-6-(1-pyrrolidinyl)- supplier

Name
4-Chloro-2-methyl-6-(pyrrolidin-1-yl)pyrimidine
EINECS
CAS No. 914349-69-2
Density 1.245 g/cm³
Solubility
Melting Point 58-60ºC
Formula C₉H₁₂ClN₃
Boiling Point 321.2 °C at 760 mmHg
Molecular Weight 197.667
Flash Point 148.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Chloro-2-methyl-6-pyrrolidin-1-yl-pyrimidine;
PSA 29.02000
LogP 2.10360

Pyrimidine, 4-chloro-2-methyl-6-(1-pyrrolidinyl)- Specification

The Pyrimidine, 4-chloro-2-methyl-6-(1-pyrrolidinyl)-, with CAS registry number 914349-69-2, belongs to the following product categories: (1)Blocks; (2)Imidazoles; (3)Pyridines. It has the systematic name of 4-chloro-2-methyl-6-pyrrolidin-1-yl-pyrimidine. And the chemical formula of this chemical is C₉H₁₂ClN_3.

Physical properties of Pyrimidine, 4-chloro-2-methyl-6-(1-pyrrolidinyl)-: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.1; (4)ACD/LogD (pH 7.4): 1.1; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 29.02 Å²; (9)Index of Refraction: 1.574; (10)Molar Refractivity: 52.36 cm³; (11)Molar Volume: 158.6 cm³; (12)Polarizability: 20.75×10^-24cm³; (13)Surface Tension: 52.6 dyne/cm; (14)Enthalpy of Vaporization: 56.3 kJ/mol; (15)Vapour Pressure: 0.000302 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(C)nc(c1)N2CCCC2
(2)InChI: InChI=1/C9H12ClN3/c1-7-11-8(10)6-9(12-7)13-4-2-3-5-13/h6H,2-5H2,1H3
(3)InChIKey: YIYFWZJPDQLOJK-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C9H12ClN3/c1-7-11-8(10)6-9(12-7)13-4-2-3-5-13/h6H,2-5H2,1H3
(5)Std. InChIKey: YIYFWZJPDQLOJK-UHFFFAOYSA-N

Product Name

4-Chloro-2-methyl-6-(pyrrolidin-1-yl)pyrimidine

Pyrimidine, 4-chloro-2-methyl-6-(1-pyrrolidinyl)- Specification

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