Methanone,(4-hydroxyphenyl)(4-methyl-1-piperazinyl)- supplier

Name
1-(4-HYDROXYBENZOYL)-4-METHYL-PIPERAZINE
EINECS
CAS No. 85858-94-2
Article Data3
CAS DataBase
Density 1.197 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₆N₂O₂
Boiling Point 401.9 °C at 760 mmHg
Molecular Weight 220.271
Flash Point 196.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Piperazine,1-(4-hydroxybenzoyl)-4-methyl- (9CI);1-(4-Hydroxybenzoyl)-4-methylpiperazine;1-Methyl-4-(4-hydroxybenzoyl)piperazine;
PSA 43.78000
LogP 0.65560

Methanone,(4-hydroxyphenyl)(4-methyl-1-piperazinyl)- Specification

The systematic name of Methanone,(4-hydroxyphenyl)(4-methyl-1-piperazinyl)- is 4-[(4-methylpiperazin-1-yl)carbonyl]phenol. With the CAS registry number 85858-94-2, it is also named as 1-(4-Hydroxybenzoyl)-4-methylpiperazine. The product's categories are Piperidines, Piperidones, Piperazines. In addition, its molecular formula is C₁₂H₁₆N₂O₂ and its molecular weight is 256.73.

The other characteristics of Methanone,(4-hydroxyphenyl)(4-methyl-1-piperazinyl)- can be summarized as: (1)ACD/LogP: -0.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.62; (4)ACD/LogD (pH 7.4): -0.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 14.9; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 32.78 Å²; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 61.81 cm³; (15)Molar Volume: 184 cm³; (16)Polarizability: 24.5×10^-24cm³; (17)Surface Tension: 49.2 dyne/cm; (18)Density: 1.197 g/cm³; (19)Flash Point: 196.9 °C; (20)Enthalpy of Vaporization: 67.84 kJ/mol; (21)Boiling Point: 401.9 °C at 760 mmHg; (22)Vapour Pressure: 4.91E-07 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(N1CCN(C)CC1)c2ccc(O)cc2
(2)InChI: InChI=1/C12H16N2O2/c1-13-6-8-14(9-7-13)12(16)10-2-4-11(15)5-3-10/h2-5,15H,6-9H2,1H3
(3)InChIKey: NGNUDVSZXGEJKN-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C12H16N2O2/c1-13-6-8-14(9-7-13)12(16)10-2-4-11(15)5-3-10/h2-5,15H,6-9H2,1H3
(5)Std. InChIKey: NGNUDVSZXGEJKN-UHFFFAOYSA-N

Product Name

1-(4-HYDROXYBENZOYL)-4-METHYL-PIPERAZINE

Methanone,(4-hydroxyphenyl)(4-methyl-1-piperazinyl)- Specification

Related Products

Hot Products