Name: Name:1-[3-(azepan-1-ylmethyl)-4-hydroxyphenyl]ethan-1-one
Brand: Angene
SKU: AG01ABHQ
Rating: 90 (10 reviews)

1-[3-(azepan-1-ylmethyl)-4-hydroxyphenyl]ethan-1-one

CAS No.:

923677-22-9

Catalog Number:

AG01ABHQ

Molecular Formula:

C15H21NO2

Molecular Weight:

247.3327

Catalog Number:

AG01ABHQ

Chemical Name:

1-[3-(azepan-1-ylmethyl)-4-hydroxyphenyl]ethan-1-one

CAS Number:

923677-22-9

Molecular Formula:

C15H21NO2

Molecular Weight:

247.3327

MDL Number:

MFCD08444892

IUPAC Name:

1-[3-(azepan-1-ylmethyl)-4-hydroxyphenyl]ethanone

InChI:

InChI=1S/C15H21NO2/c1-12(17)13-6-7-15(18)14(10-13)11-16-8-4-2-3-5-9-16/h6-7,10,18H,2-5,8-9,11H2,1H3

InChI Key:

FKIXZQZCCCURAH-UHFFFAOYSA-N

SMILES:

CC(=O)c1ccc(c(c1)CN1CCCCCC1)O

Complexity:

272

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

247.157g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

247.338g/mol

Monoisotopic Mass:

247.157g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3