Home Aminos (5-Amino-2-butyl-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]-methanone ethanedioate

(5-Amino-2-butyl-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]-methanone ethanedioate

CAS No.:
500791-70-8
Catalog Number:
AG00DDVU
Molecular Formula:
C32H44N2O7
Molecular Weight:
568.7010
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Product Description
Catalog Number:
AG00DDVU
Chemical Name:
(5-Amino-2-butyl-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]-methanone ethanedioate
CAS Number:
500791-70-8
Molecular Formula:
C32H44N2O7
Molecular Weight:
568.7010
MDL Number:
MFCD16877195
IUPAC Name:
(5-amino-2-butyl-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone;oxalic acid
InChI:
InChI=1S/C30H42N2O3.C2H2O4/c1-4-7-11-28-29(26-22-24(31)14-17-27(26)35-28)30(33)23-12-15-25(16-13-23)34-21-10-20-32(18-8-5-2)19-9-6-3;3-1(4)2(5)6/h12-17,22H,4-11,18-21,31H2,1-3H3;(H,3,4)(H,5,6)
InChI Key:
VJVFIQVIPOMHOP-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.CCCCN(CCCC)CCCOc1ccc(cc1)C(=O)c1c(CCCC)oc2c1cc(N)cc2
EC Number:
448-700-9
Properties
Complexity:
656  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
568.315g/mol
Formal Charge:
0
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
568.711g/mol
Monoisotopic Mass:
568.315g/mol
Rotatable Bond Count:
17  
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties