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1000343-80-5 | 1H-Indol-4-aMine, 6-(1-Methylethyl)-
CAS No: 1000343-80-5 Catalog No: AG0000MC MDL No:
Product Description
Catalog Number:
AG0000MC
Chemical Name:
1H-Indol-4-aMine, 6-(1-Methylethyl)-
CAS Number:
1000343-80-5
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
IUPAC Name:
6-propan-2-yl-1H-indol-4-amine
InChI:
InChI=1S/C11H14N2/c1-7(2)8-5-10(12)9-3-4-13-11(9)6-8/h3-7,13H,12H2,1-2H3
InChI Key:
BABORPNHMGPVDG-UHFFFAOYSA-N
SMILES:
CC(c1cc(N)c2c(c1)[nH]cc2)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.116g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.247g/mol
Monoisotopic Mass:
174.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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