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87482-18-6 | 1H-Indole-1-ethanamine, N,N,6-trimethyl-, ethanedioate (1:1)
CAS No: 87482-18-6 Catalog No: AG004FMS MDL No:
Product Description
Catalog Number:
AG004FMS
Chemical Name:
1H-Indole-1-ethanamine, N,N,6-trimethyl-, ethanedioate (1:1)
CAS Number:
87482-18-6
Molecular Formula:
C15H20N2O4
Molecular Weight:
292.3303
IUPAC Name:
N,N-dimethyl-2-(6-methylindol-1-yl)ethanamine;oxalic acid
InChI:
InChI=1S/C13H18N2.C2H2O4/c1-11-4-5-12-6-7-15(13(12)10-11)9-8-14(2)3;3-1(4)2(5)6/h4-7,10H,8-9H2,1-3H3;(H,3,4)(H,5,6)
InChI Key:
QHZKBLFUAYIDNV-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.CN(CCn1ccc2c1cc(C)cc2)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.142g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.335g/mol
Monoisotopic Mass:
292.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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