-
Name
2-chloro-N,N-dimethyl-5-phenylpyrimidin-4-amine
- EINECS
- CAS No. 771555-68-1
- Density 1.222 g/cm3
- Solubility
- Melting Point
- Formula C12H12ClN3
- Boiling Point 410.4 °C at 760 mmHg
- Molecular Weight 233.69678
- Flash Point 202 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms (2-Chloro-5-phenylpyrimidin-4-yl)dimethylamine;
- PSA 29.02000
- LogP 2.86300
4-Pyrimidinamine,2-chloro-N,N-dimethyl-5-phenyl- Specification
The 4-Pyrimidinamine,2-chloro-N,N-dimethyl-5-phenyl- is an organic compound with the formula C12H12ClN3. The systematic name of this chemical is 2-chloro-N,N-dimethyl-5-phenylpyrimidin-4-amine. With the CAS registry number 771555-68-1, it is also named as (2-chloro-5-phenylpyrimidin-4-yl)dimethylamine.
Physical properties about 4-Pyrimidinamine,2-chloro-N,N-dimethyl-5-phenyl- are: (1)ACD/LogP: 3.23; (2)ACD/LogD (pH 5.5): 3.23; (3)ACD/LogD (pH 7.4): 3.23; (4)ACD/BCF (pH 5.5): 166.84; (5)ACD/BCF (pH 7.4): 167.95; (6)ACD/KOC (pH 5.5): 1353.68; (7)ACD/KOC (pH 7.4): 1362.61; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 29.02 Å2; (11)Index of Refraction: 1.609; (12)Molar Refractivity: 66.23 cm3; (13)Molar Volume: 191.1 cm3; (14)Polarizability: 26.25×10-24cm3; (15)Surface Tension: 49.4 dyne/cm; (16)Density: 1.222 g/cm3; (17)Flash Point: 202 °C; (18)Enthalpy of Vaporization: 66.28 kJ/mol; (19)Boiling Point: 410.4 °C at 760 mmHg; (20)Vapour Pressure: 6.02E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CN(C)c1nc(Cl)ncc1c2ccccc2
(2)InChI: InChI=1/C12H12ClN3/c1-16(2)11-10(8-14-12(13)15-11)9-6-4-3-5-7-9/h3-8H,1-2H3
(3)InChIKey: VPNCOMHQEVMYCA-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C12H12ClN3/c1-16(2)11-10(8-14-12(13)15-11)9-6-4-3-5-7-9/h3-8H,1-2H3
(5)Std. InChIKey: VPNCOMHQEVMYCA-UHFFFAOYSA-N
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