200,000+ products from a single source!
sales@angenechem.com
114829-62-8 | Benzeneacetonitrile, 3,4-dimethoxy-α-[3-[[2-[3-methoxy-4-(phenylmethoxy)phenyl]ethyl]methylamino]propyl]-α-(1-methylethyl)-
CAS No: 114829-62-8 Catalog No: AG000FC0 MDL No:
Product Description
Catalog Number:
AG000FC0
Chemical Name:
Benzeneacetonitrile, 3,4-dimethoxy-α-[3-[[2-[3-methoxy-4-(phenylmethoxy)phenyl]ethyl]methylamino]propyl]-α-(1-methylethyl)-
CAS Number:
114829-62-8
Molecular Formula:
C33H42N2O4
Molecular Weight:
530.6976
IUPAC Name:
2-(3,4-dimethoxyphenyl)-5-[2-(3-methoxy-4-phenylmethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile
InChI:
InChI=1S/C33H42N2O4/c1-25(2)33(24-34,28-14-16-29(36-4)32(22-28)38-6)18-10-19-35(3)20-17-26-13-15-30(31(21-26)37-5)39-23-27-11-8-7-9-12-27/h7-9,11-16,21-22,25H,10,17-20,23H2,1-6H3
InChI Key:
PWIBBBJJFPZJFC-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(c(c1)OC)OC)(C(C)C)CCCN(CCc1ccc(c(c1)OC)OCc1ccccc1)C
Properties
Complexity:
733
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
530.314g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
530.709g/mol
Monoisotopic Mass:
530.314g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.