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Home > Indoles and Oxindole > 82439-18-7
82439-18-7 | 4-(1-Ethyl-1,2,5,6-tetrahydro-3-pyridinyl)-1H-indole phosphate (1:1)
CAS No: 82439-18-7 Catalog No: AG004WNR MDL No:
Product Description
Catalog Number:
AG004WNR
Chemical Name:
4-(1-Ethyl-1,2,5,6-tetrahydro-3-pyridinyl)-1H-indole phosphate (1:1)
CAS Number:
82439-18-7
Molecular Formula:
C15H21N2O4P
Molecular Weight:
324.3120
IUPAC Name:
4-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indole;phosphoric acid
InChI:
InChI=1S/C15H18N2.H3O4P/c1-2-17-10-4-5-12(11-17)13-6-3-7-15-14(13)8-9-16-15;1-5(2,3)4/h3,5-9,16H,2,4,10-11H2,1H3;(H3,1,2,3,4)
InChI Key:
BOGMHGWMTSOJBG-UHFFFAOYSA-N
SMILES:
OP(=O)(O)O.CCN1CCC=C(C1)c1cccc2c1cc[nH]2
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.124g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
324.317g/mol
Monoisotopic Mass:
324.124g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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