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137601-21-9 | 1H-Indol-5-amine, 1-acetyl-2,3-dihydro-2,3-dimethyl-, cis- (9CI)
CAS No: 137601-21-9 Catalog No: AG0013MN MDL No:
Product Description
Catalog Number:
AG0013MN
Chemical Name:
1H-Indol-5-amine, 1-acetyl-2,3-dihydro-2,3-dimethyl-, cis- (9CI)
CAS Number:
137601-21-9
Molecular Formula:
C12H16N2O
Molecular Weight:
204.2682
IUPAC Name:
1-[(2S,3S)-5-amino-2,3-dimethyl-2,3-dihydroindol-1-yl]ethanone
InChI:
InChI=1S/C12H16N2O/c1-7-8(2)14(9(3)15)12-5-4-10(13)6-11(7)12/h4-8H,13H2,1-3H3/t7-,8+/m1/s1
InChI Key:
CAFKWKMYKDXPTG-SFYZADRCSA-N
SMILES:
Nc1ccc2c(c1)[C@H](C)[C@@H](N2C(=O)C)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
204.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.273g/mol
Monoisotopic Mass:
204.126g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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