Home Other Building Blocks 2-(4-Methoxybenzyl)azepane oxalate

2-(4-Methoxybenzyl)azepane oxalate

CAS No.:
1177300-15-0
Catalog Number:
AG00HE3G
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00HE3G
Chemical Name:
2-(4-Methoxybenzyl)azepane oxalate
CAS Number:
1177300-15-0
IUPAC Name:
2-[(4-methoxyphenyl)methyl]azepane;oxalic acid
InChI:
InChI=1S/C14H21NO.C2H2O4/c1-16-14-8-6-12(7-9-14)11-13-5-3-2-4-10-15-13;3-1(4)2(5)6/h6-9,13,15H,2-5,10-11H2,1H3;(H,3,4)(H,5,6)
InChI Key:
VLISZGLXMPOERB-UHFFFAOYSA-N
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.158g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
309.362g/mol
Monoisotopic Mass:
309.158g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties