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Home > Indoles and Oxindole > 82439-12-1
82439-12-1 | 1-Methyl-4-(1-propyl-3-piperidinyl)-1H-indole ethanedioate (1:1)
CAS No: 82439-12-1 Catalog No: AG005B5A MDL No:
Product Description
Catalog Number:
AG005B5A
Chemical Name:
1-Methyl-4-(1-propyl-3-piperidinyl)-1H-indole ethanedioate (1:1)
CAS Number:
82439-12-1
Molecular Formula:
C19H26N2O4
Molecular Weight:
346.4207
IUPAC Name:
1-methyl-4-(1-propylpiperidin-3-yl)indole;oxalic acid
InChI:
InChI=1S/C17H24N2.C2H2O4/c1-3-10-19-11-5-6-14(13-19)15-7-4-8-17-16(15)9-12-18(17)2;3-1(4)2(5)6/h4,7-9,12,14H,3,5-6,10-11,13H2,1-2H3;(H,3,4)(H,5,6)
InChI Key:
LGUYREWVHWOZLH-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.CCCN1CCCC(C1)c1cccc2c1ccn2C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.189g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
346.427g/mol
Monoisotopic Mass:
346.189g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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