Cyclohexanol,2-meth...

Cyclohexanol,2-methyl-2-phenyl-, 1-carbamate(CAS No. 5465-93-0)

Cyclohexanol,2-methyl-2-phenyl-, 1-carbamate(CAS No. 5465-93-0)

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Cyclohexanol,2-methyl-2-phenyl-, 1-carbamate 5465-93-0 98%

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  • Appearance:Solid
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Details:

【Name】
Cyclohexanol,2-methyl-2-phenyl-, 1-carbamate
【CAS Registry number】
5465-93-0
【Synonyms】
Cyclohexanol,2-methyl-2-phenyl-, carbamate (9CI)
NSC 25925
【Molecular Formula】
C14H19NO2 (Products with the same molecular formula)
【Molecular Weight】
233.3062
【Inchi】
InChI=1/C14H19NO2/c1-14(11-7-3-2-4-8-11)10-6-5-9-12(14)17-13(15)16/h2-4,7-8,12H,5-6,9-10H2,1H3,(H2,15,16)
【Canonical SMILES】
CC1(CCCCC1OC(=O)N)C2=CC=CC=C2
Chemical and Physical Properties
【Density】
1.1g/cm3
【Boiling Point】
382.4°Cat760mmHg
【Refractive Index】
1.55
【Flash Point】
168.2°C
【Computed Properties】
Molecular Weight:233.30616 [g/mol]
Molecular Formula:C14H19NO2
XLogP3-AA:3.3
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:3
Tautomer Count:2
Exact Mass:233.141579
MonoIsotopic Mass:233.141579
Topological Polar Surface Area:52.3
Heavy Atom Count:17
Formal Charge:0
Complexity:273
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Ring Count:2
Effective Rotor Count:4.2
Conformer Sampling RMSD:0.6
CID Conformer Count:26

 

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