3-benzyl-6-methyl-2...

3-benzyl-6-methyl-2,4-dihydro-1,3-benzoxazine 52055-73-9

3-benzyl-6-methyl-2,4-dihydro-1,3-benzoxazine 52055-73-9

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Keywords

8-benzyl-4-methyl-10-oxa-8-azabicyclo[4.4.0]deca-2,4,11-triene 3-benzyl-6-methyl-2,4-dihydro-1,3-benzoxazine 52055-73-9

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  • Appearance:Liquid
  • Application:Organic Chemicals
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  • ProductionCapacity:10|Kilogram|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

Identification and Related Records
【Name】
3-Benzyl-3,4-dihydro-6-methyl-2H-1,3-benzoxazine
【CAS Registry number】
52055-73-9
【Synonyms】
3,4-Dihydro-6-methyl-3-(phenylmethyl)-2H-1,3-benzoxazine
3-Benzyl-3,4-dihydro-6-methyl-2H-1,3-benzoxazine
3-Benzyl-6-methyl-3,4-dihydro-2H-1,3-benzoxazine
【Molecular Formula】
C16H17NO (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C16H17NO/c1-13-7-8-16-15(9-13)11-17(12-18-16)10-14-5-3-2-4-6-14/h2-9H,10-12H2,1H3
【Canonical SMILES】
CC1=CC2=C(C=C1)OCN(C2)CC3=CC=CC=C3
【MOL File】
52055-73-9.mol
Chemical and Physical Properties
【Density】
1.123g/cm3
【Boiling Point】
350.7°C at 760 mmHg
【Refractive Index】
1.601
【Flash Point】
103.6°C
【Computed Properties】
Molecular Weight:239.31228 [g/mol]
Molecular Formula:C16H17NO
XLogP3-AA:3.5
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:2
Exact Mass:239.131014
MonoIsotopic Mass:239.131014
Topological Polar Surface Area:12.5
Heavy Atom Count:18
Formal Charge:0
Complexity:262
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 Cation Count:1
Feature 3D Ring Count:3
Effective Rotor Count:2.8
Conformer Sampling RMSD:0.6
CID Conformer Count:12

 

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