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952664-68-5 | 3-tert-Butyl-1H-indol-5-amine
CAS No: 952664-68-5 Catalog No: AG005SG7 MDL No:MFCD20668429
Product Description
Catalog Number:
AG005SG7
Chemical Name:
3-tert-Butyl-1H-indol-5-amine
CAS Number:
952664-68-5
Molecular Formula:
C12H16N2
Molecular Weight:
188.2688
MDL Number:
MFCD20668429
IUPAC Name:
3-tert-butyl-1H-indol-5-amine
InChI:
InChI=1S/C12H16N2/c1-12(2,3)10-7-14-11-5-4-8(13)6-9(10)11/h4-7,14H,13H2,1-3H3
InChI Key:
QOWLDRVCYQATFR-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)c(c[nH]2)C(C)(C)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.274g/mol
Monoisotopic Mass:
188.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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