1-Piperazinecarboxylicacid,4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-,ethyl ester, rel- supplier

Name
DICHLOROPHENYL IMIDAZOLDIOXOLAN
EINECS
CAS No. 85058-43-1
Article Data3
CAS DataBase
Density 1.37g/cm³
Solubility
Melting Point
Formula > C₂₇H₃₀C_l2N₄O₅
Boiling Point 734.8 ºC at 760 mmHg
Molecular Weight 561.465
Flash Point 398.2 ºC
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Piperazinecarboxylicacid,4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-,ethyl ester, cis-;Dichlorophenyl imidazoldioxolan;Elubiol;R 41300;
PSA
LogP

1-Piperazinecarboxylicacid,4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-,ethyl ester, rel- Specification

1-Piperazinecarboxylicacid,4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-,ethyl ester, rel- , with the CAS register number 85058-43-1, has the systematic name of ethyl 4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine-1-carboxylate and it has other names such as dichlorophenyl imidazoldioxolan .

Characteristics of this kind of chemical are as followings|: (1)ACD/LogP: 4.18 ; (2)# of Rule of 5 Violations: 1 ; (3)#H bond acceptors: 9 ; (4)#Freely Rotating Bonds: 9 ; (5)Polar Surface Area: 78.29 ; (6)Index of Refraction: 1.63 ; (7)Molar Refractivity: 145.11 cm³ ; (8)Molar Volume: 407.4 cm³ ; (9)Polarizability: 57.52 ×10-24cm³ ; (10)Surface Tension: 51.6 dyne/cm ; (11)Density: 1.37 g/cm³ ; (12)Flash Point: 398.2 °C ; (13)Enthalpy of Vaporization: 107.21 kJ/mol ; (14)Boiling Point: 734.8 °C at 760 mmHg ; (15)Vapour Pressure: 1.88E-21 mmHg at 25°C .

In addition, you could obtain the molecular structure by converting the following data information:
SMILES:O=C(OCC)N5CCN(c4ccc(OC[C@@H]1O[C@](OC1)(c2ccc(Cl)cc2Cl)Cn3ccnc3)cc4)CC5
InChI:InChI=1/C27H30Cl2N4O5/c1-2-35-26(34)33-13-11-32(12-14-33)21-4-6-22(7-5-21)36-16-23-17-37-27(38-23,18-31-10-9-30-19-31)24-8-3-20(28)15-25(24)29/h3-10,15,19,23H,2,11-14,16-18H2,1H3/t23-,27-/m0/s1
InChIKey:VEVFSWCSRVJBSM-HOFKKMOUBZ

As for its market information, there are many suppliers in China, such as Nanjing Chemlin Chemical Co., Ltd.

Product Name

DICHLOROPHENYL IMIDAZOLDIOXOLAN

1-Piperazinecarboxylicacid,4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-,ethyl ester, rel- Specification

Related Products

Hot Products