1-(4-chlorophenyl)-3-(2-phenylethyl)urea 5402-89-1 CAS NO.5402-89-1

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Product Details

Keywords

3-(4-chlorophenyl)-1-phenethyl-urea
5402-89-1
98%

Quick Details

ProName: 1-(4-chlorophenyl)-3-(2-phenylethyl)ur...
CasNo: 5402-89-1
Molecular Formula: C15H15ClN2O
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: according to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Kilogram
Heavy metal: N/A
Grade: Industrial Grade

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Details

Identification and Related Records
【Name】
1-(4-chlorophenyl)-3-(2-phenylethyl)urea
【CAS Registry number】
5402-89-1
【Synonyms】
1-(4-Chlorophenyl)-3-(2-phenylethyl)urea
urea, N-(4-chlorophenyl)-N'-(2-phenylethyl)-
【Molecular Formula】
C15H15ClN2O (Products with the same molecular formula)
【Molecular Weight】
274.7454
【Inchi】
InChI=1S/C15H15ClN2O/c16-13-6-8-14(9-7-13)18-15(19)17-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,17,18,19)
【InChIKey】
WEAZROGNZZIRPL-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC=C(C=C1)CCNC(=O)NC2=CC=C(C=C2)Cl
Chemical and Physical Properties
【Density】
1.246g/cm3
【Boiling Point】
407.4°C at 760 mmHg
【Refractive Index】
1.626
【Flash Point】
200.2°C
【Computed Properties】
Molecular Weight:274.7454 [g/mol]
Molecular Formula:C15H15ClN2O
XLogP3-AA:3.5
H-Bond Donor:2
H-Bond Acceptor:1
Rotatable Bond Count:4
Tautomer Count:3
Exact Mass:274.087291
MonoIsotopic Mass:274.087291
Topological Polar Surface Area:41.1
Heavy Atom Count:19
Formal Charge:0
Complexity:271
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:2
Feature 3D Ring Count:2
Effective Rotor Count:6
Conformer Sampling RMSD:0.8
CID Conformer Count:29

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