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1-(1-(1,1-Biphenyl)-4-yl-1-methylethyl) hydrogen (S)-pyrrolidine-1,2-dicarboxylate, compound with dicyclohexylamine (1:1)

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Name

1-(1-(1,1-Biphenyl)-4-yl-1-methylethyl) hydrogen (S)-pyrrolidine-1,2-dicarboxylate, compound with dicyclohexylamine (1:1)

EINECS 242-535-4
CAS No. 18725-28-5 Density N/A
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C33H46N2O4 Boiling Point 683.9 °C at 760 mmHg
Molecular Weight 534.7293 Flash Point 367.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 18725-28-5 (1-(1-(1,1-Biphenyl)-4-yl-1-methylethyl) hydrogen (S)-pyrrolidine-1,2-dicarboxylate, compound with dicyclohexylamine (1:1)) Hazard Symbols N/A
Synonyms

N-Cyclohexylcyclohexanamine; (2S)-1-[1-methyl-1-(4-phenylphenyl)ethoxy]carbonylpyrrolidine-2-carboxylic acid;

 

1-(1-(1,1-Biphenyl)-4-yl-1-methylethyl) hydrogen (S)-pyrrolidine-1,2-dicarboxylate, compound with dicyclohexylamine (1:1) Specification

The 1-(1-(1, 1-Biphenyl)-4-yl-1-methylethyl) hydrogen (S)-pyrrolidine-1, 2-dicarboxylate, compound with dicyclohexylamine (1:1), with the CAS registry number 18725-28-5, is also known as N-Cyclohexylcyclohexanamine; (2S)-1-[1-methyl-1-(4-phenylphenyl)ethoxy]carbonylpyrrolidine-2-carboxylic acid. Its EINECS registry number is 242-535-4. This chemical's molecular formula is C33H46N2O4 and molecular weight is 534.7293. What's more, its IUPAC name is N-Cyclohexylcyclohexanamine; (2S)-1-[2-(4-phenylphenyl)propan-2-yloxycarbonyl]pyrrolidine-2-carboxylic acid.

Physical properties about 1-(1-(1, 1-Biphenyl)-4-yl-1-methylethyl) hydrogen (S)-pyrrolidine-1, 2-dicarboxylate, compound with dicyclohexylamine (1:1) are: (1)ACD/LogP: 7.32; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 4.81; (4)ACD/LogD (pH 7.4): 4.82; (5)#H bond acceptors: 6; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 7; (8)Polar Surface Area: 78.87 Å2; (9)Flash Point: 367.4 °C; (10)Enthalpy of Vaporization: 105.36 kJ/mol; (11)Boiling Point: 683.9 °C at 760 mmHg; (12)Vapour Pressure: 1.21E-19 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(OC(=O)N1CCC[C@H]1C(O)=O)c2ccc(cc2)c3ccccc3.C1CCCCC1NC2CCCCC2
(2) InChI: InChI=1/C21H23NO4.C12H23N/c1-21(2,26-20(25)22-14-6-9-18(22)19(23)24)17-12-10-16(11-13-17)15-7-4-3-5-8-15;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3-5,7-8,10-13,18H,6,9,14H2,1-2H3,(H,23,24);11-13H,1-10H2/t18-;/m0./s1
(3) InChIKey: HELVDZPTQLEDTH-FERBBOLQBE

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