Home Other Building Blocks 2-(azepan-2-yl)-1-phenylethan-1-one hydrochloride

2-(azepan-2-yl)-1-phenylethan-1-one hydrochloride

CAS No.:
1376225-40-9
Catalog Number:
AG019YFG
Molecular Formula:
C14H20ClNO
Molecular Weight:
253.7677
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Product Description
Catalog Number:
AG019YFG
Chemical Name:
2-(azepan-2-yl)-1-phenylethan-1-one hydrochloride
CAS Number:
1376225-40-9
Molecular Formula:
C14H20ClNO
Molecular Weight:
253.7677
MDL Number:
MFCD22196394
IUPAC Name:
2-(azepan-2-yl)-1-phenylethanone;hydrochloride
InChI:
InChI=1S/C14H19NO.ClH/c16-14(12-7-3-1-4-8-12)11-13-9-5-2-6-10-15-13;/h1,3-4,7-8,13,15H,2,5-6,9-11H2;1H
InChI Key:
RCQANLGRNJPJJR-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CC1CCCCCN1.Cl
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.123g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
253.77g/mol
Monoisotopic Mass:
253.123g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties