CAS No.354563-89-6,2-(AMINOMETHYL)PHENOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	354563-89-6
Name:	2-(AMINOMETHYL)PHENOL

Formula:	C₁₇H₂₂N₄O₂
Molecular Weight:	314.38
Synonyms:	N-(4,6-Dimethoxypyrimidin-2-yl)phenylmethylpiperazine;
EINECS:	213-249-7
Density:	1.163 g/cm³
Melting Point:	127-131 °C
Boiling Point:	463.8 °C at 760 mmHg
Flash Point:	234.3 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	37/39-26
PSA:	59.51000
LogP:	1.75510

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Specification

This chemical is called Pyrimidine,4,6-dimethoxy-2-(phenyl-1-piperazinylmethyl)-, and its systematic name is 4,6-dimethoxy-2-[phenyl(piperazin-1-yl)methyl]pyrimidine. With the molecular formula of C₁₇H₂₂N₄O₂, its molecular weight is 314.38. The CAS registry number of this chemical is 354563-89-6.

Other characteristics of the Pyrimidine,4,6-dimethoxy-2-(phenyl-1-piperazinylmethyl)- can be summarised as followings: (1)ACD/LogP: 3.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.34; (4)ACD/LogD (pH 7.4): 1.91; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 8.3; (7)ACD/KOC (pH 5.5): 1.9; (8)ACD/KOC (pH 7.4): 69.94; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 50.72 Å²; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 88.46 cm³; (15)Molar Volume: 270.1 cm³; (16)Polarizability: 35.07×10^-24cm³; (17)Surface Tension: 47.4 dyne/cm; (18)Density: 1.163 g/cm³; (19)Flash Point: 234.3 °C; (20)Enthalpy of Vaporization: 72.51 kJ/mol; (21)Boiling Point: 463.8 °C at 760 mmHg; (22)Vapour Pressure: 8.79E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: n1c(nc(OC)cc1OC)C(c2ccccc2)N3CCNCC3
2.InChI: InChI=1/C17H22N4O2/c1-22-14-12-15(23-2)20-17(19-14)16(13-6-4-3-5-7-13)21-10-8-18-9-11-21/h3-7,12,16,18H,8-11H2,1-2H3
3.InChIKey: BGJADJLMAYMTRR-UHFFFAOYAZ