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68841-06-5 | HEXAHYDRO-2-[(4-METHOXYLPHENYL)METHYL]-1H-AZEPINE
CAS No: 68841-06-5 Catalog No: AG006GHW MDL No:
Product Description
Catalog Number:
AG006GHW
Chemical Name:
HEXAHYDRO-2-[(4-METHOXYLPHENYL)METHYL]-1H-AZEPINE
CAS Number:
68841-06-5
Molecular Formula:
C14H21NO
Molecular Weight:
219.3226
IUPAC Name:
2-[(4-methoxyphenyl)methyl]azepane
InChI:
InChI=1S/C14H21NO/c1-16-14-8-6-12(7-9-14)11-13-5-3-2-4-10-15-13/h6-9,13,15H,2-5,10-11H2,1H3
InChI Key:
MYFZIZZWGXOIOK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CC1CCCCCN1
Properties
Complexity:
187
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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