KDS 4103 supplier | CasNO.546141-08-6

Name
URB597
EINECS 637-274-1
CAS No. 546141-08-6
Article Data4
CAS DataBase
Density 1.23 g/cm³
Solubility DMSO: 14 mg/mL
Melting Point
Formula C₂₀H₂₂N₂O₃
Boiling Point 533.2 °C at 760 mmHg
Molecular Weight 338.406
Flash Point 276.3 °C
Transport Information UN 3077 9/PG 3
Appearance white powder
Safety 22-24/25-60-61
Risk Codes 50/53
Molecular Structure
Hazard Symbols N
Synonyms Carbamicacid, cyclohexyl-, 3'-(aminocarbonyl)[1,1'-biphenyl]-3-yl ester (9CI);KDS 4103;URB 597;3'-Carbamoylbiphenyl-3-yl cyclohexylcarbamate;3-[3-(N-Cyclohexylcarbamoyloxy)phenyl]benzamide;URB597;
PSA 81.42000
LogP 4.96480

KDS 4103 Specification

The Carbamic acid,N-cyclohexyl-, 3'-(aminocarbonyl)[1,1'-biphenyl]-3-yl ester with CAS registry number of 546141-08-6 is also known as URB 597. The IUPAC/systematic name is [3-(3-Carbamoylphenyl)phenyl] N-cyclohexylcarbamate. In addition, the formula is C₂₀H₂₂N₂O₃ and the molecular weight is 338.40.

Physical properties about Carbamic acid,N-cyclohexyl-, 3'-(aminocarbonyl)[1,1'-biphenyl]-3-yl ester are: (1)ACD/LogP: 4.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.03; (4)ACD/LogD (pH 7.4): 4.03; (5)ACD/BCF (pH 5.5): 680.71; (6)ACD/BCF (pH 7.4): 680.68; (7)ACD/KOC (pH 5.5): 3710.52; (8)ACD/KOC (pH 7.4): 3710.35; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.617; (13)Molar Refractivity: 95.68 cm³; (14)Molar Volume: 273.2 cm³; (15)Surface Tension: 57.2 dyne/cm; (16)Density: 1.23 g/cm³; (17)Flash Point: 276.3 °C; (18)Enthalpy of Vaporization: 80.91 kJ/mol; (19)Boiling Point: 533.2 °C at 760 mmHg; (20)Vapour Pressure: 1.9E-11 mmHg at 25 °C.

When you are using this chemical, please be cautious about it. As a chemical, it is very toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment. This material and its container must be disposed of as hazardous waste. During using it, avoid contact with skin and eyes and avoid release to the environment. What's more, do not breathe dust.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1CCC(CC1)NC(=O)OC2=CC=CC(=C2)C3=CC(=CC=C3)C(=O)N
2. InChI: InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
3. InChIKey: ROFVXGGUISEHAM-UHFFFAOYSA-N

Product Name

URB597

KDS 4103 Specification

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