200,000+ products from a single source!
sales@angenechem.com
129658-28-2 | Benzeneethanamine, 4-(heptylthio)-2,5-dimethoxy-, (2Z)-2-butenedioate (1:1)
CAS No: 129658-28-2 Catalog No: AG000ZA6 MDL No:
Product Description
Catalog Number:
AG000ZA6
Chemical Name:
Benzeneethanamine, 4-(heptylthio)-2,5-dimethoxy-, (2Z)-2-butenedioate (1:1)
CAS Number:
129658-28-2
Molecular Formula:
C21H33NO6S
Molecular Weight:
427.5548
IUPAC Name:
but-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)ethanamine
InChI:
InChI=1S/C17H29NO2S.C4H4O4/c1-4-5-6-7-8-11-21-17-13-15(19-2)14(9-10-18)12-16(17)20-3;5-3(6)1-2-4(7)8/h12-13H,4-11,18H2,1-3H3;1-2H,(H,5,6)(H,7,8)
InChI Key:
KMEXKDSOEGYUCQ-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C\C(=O)O.CCCCCCCSc1cc(OC)c(cc1OC)CCN
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.203g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
427.556g/mol
Monoisotopic Mass:
427.203g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.