Home Other Building Blocks 2-methyl-7-phenyl-1,4-oxazepane, Mixture of diastereomers

2-methyl-7-phenyl-1,4-oxazepane, Mixture of diastereomers

CAS No.:
2138245-80-2
Catalog Number:
AG01EHZB
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
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Product Description
Catalog Number:
AG01EHZB
Chemical Name:
2-methyl-7-phenyl-1,4-oxazepane, Mixture of diastereomers
CAS Number:
2138245-80-2
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
MDL Number:
MFCD31558876
IUPAC Name:
2-methyl-7-phenyl-1,4-oxazepane
InChI:
InChI=1S/C12H17NO/c1-10-9-13-8-7-12(14-10)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3
InChI Key:
PDSREWBLTAMGGF-UHFFFAOYSA-N
SMILES:
CC1CNCCC(O1)c1ccccc1
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.131g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.274g/mol
Monoisotopic Mass:
191.131g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties