200,000+ products from a single source!
sales@angenechem.com
23249-21-0 | 1H-Indole-3-propanamine, 2,3-dihydro-N,N,3-trimethyl-1-phenyl-, (2Z)-2-butenedioate (1:1)
CAS No: 23249-21-0 Catalog No: AG002MN5 MDL No:
Product Description
Catalog Number:
AG002MN5
Chemical Name:
1H-Indole-3-propanamine, 2,3-dihydro-N,N,3-trimethyl-1-phenyl-, (2Z)-2-butenedioate (1:1)
CAS Number:
23249-21-0
Molecular Formula:
C24H30N2O4
Molecular Weight:
410.5060
IUPAC Name:
(Z)-but-2-enedioic acid;N,N-dimethyl-3-(3-methyl-1-phenyl-2H-indol-3-yl)propan-1-amine
InChI:
InChI=1S/C20H26N2.C4H4O4/c1-20(14-9-15-21(2)3)16-22(17-10-5-4-6-11-17)19-13-8-7-12-18(19)20;5-3(6)1-2-4(7)8/h4-8,10-13H,9,14-16H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChI Key:
YFOONQGIWRMSDH-BTJKTKAUSA-N
SMILES:
OC(=O)/C=C\C(=O)O.CN(CCCC1(C)CN(c2c1cccc2)c1ccccc1)C
NSC Number:
109026
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
410.221g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
410.514g/mol
Monoisotopic Mass:
410.221g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.