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100615-20-1 | 1-(2-Dimethylamino-ethyl)-1H-indole-3-carbaldehyde
CAS No: 100615-20-1 Catalog No: AG01EQKM MDL No:
Product Description
Catalog Number:
AG01EQKM
Chemical Name:
1-(2-Dimethylamino-ethyl)-1H-indole-3-carbaldehyde
CAS Number:
100615-20-1
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
IUPAC Name:
1-[2-(dimethylamino)ethyl]indole-3-carbaldehyde
InChI:
InChI=1S/C13H16N2O/c1-14(2)7-8-15-9-11(10-16)12-5-3-4-6-13(12)15/h3-6,9-10H,7-8H2,1-2H3
InChI Key:
JJMHZYQXLTUJKA-UHFFFAOYSA-N
SMILES:
O=Cc1cn(c2c1cccc2)CCN(C)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.284g/mol
Monoisotopic Mass:
216.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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