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69937-13-9 | 3-(2-DIMETHYLAMINOETHYL)-5-NITROINDOLE
CAS No: 69937-13-9 Catalog No: AG006549 MDL No:
Product Description
Catalog Number:
AG006549
Chemical Name:
3-(2-DIMETHYLAMINOETHYL)-5-NITROINDOLE
CAS Number:
69937-13-9
Molecular Formula:
C12H15N3O2
Molecular Weight:
233.2664
IUPAC Name:
N,N-dimethyl-2-(5-nitro-1H-indol-3-yl)ethanamine
InChI:
InChI=1S/C12H15N3O2/c1-14(2)6-5-9-8-13-12-4-3-10(15(16)17)7-11(9)12/h3-4,7-8,13H,5-6H2,1-2H3
InChI Key:
WNAXXOOIDCPHIB-UHFFFAOYSA-N
SMILES:
CN(CCc1c[nH]c2c1cc(cc2)[N+](=O)[O-])C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.271g/mol
Monoisotopic Mass:
233.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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