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

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
Solubility
Melting Point
Formula C₃₃H₄₆N₂O₄
Boiling Point 683.9 °C at 760 mmHg
Molecular Weight 534.7293
Flash Point 367.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-Cyclohexylcyclohexanamine; (2S)-1-[1-methyl-1-(4-phenylphenyl)ethoxy]carbonylpyrrolidine-2-carboxylic acid;
PSA
LogP

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

Product Name

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

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

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