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68841-23-6

68841-23-6 | HEXAHYDRO-2-[(2-METHOXYLPHENYL)METHYL]-1H-AZEPINE

CAS No: 68841-23-6 Catalog No: AG006GHU MDL No:MFCD02663781

Product Description

Catalog Number:
AG006GHU
Chemical Name:
HEXAHYDRO-2-[(2-METHOXYLPHENYL)METHYL]-1H-AZEPINE
CAS Number:
68841-23-6
Molecular Formula:
C14H21NO
Molecular Weight:
219.3226
MDL Number:
MFCD02663781
IUPAC Name:
2-[(2-methoxyphenyl)methyl]azepane
InChI:
InChI=1S/C14H21NO/c1-16-14-9-5-4-7-12(14)11-13-8-3-2-6-10-15-13/h4-5,7,9,13,15H,2-3,6,8,10-11H2,1H3
InChI Key:
MLKKLLTZVLQPNS-UHFFFAOYSA-N
SMILES:
COc1ccccc1CC1CCCCCN1

Properties

Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.162g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.328g/mol
Monoisotopic Mass:
219.162g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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