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Home > Indoles and Oxindole > 1368693-28-0
1368693-28-0 | 7-ETHYL-3-(PROPAN-2-YL)-2,3-DIHYDRO-1H-INDOLE
CAS No: 1368693-28-0 Catalog No: AG01BP89 MDL No:MFCD21876993
Product Description
Catalog Number:
AG01BP89
Chemical Name:
7-ETHYL-3-(PROPAN-2-YL)-2,3-DIHYDRO-1H-INDOLE
CAS Number:
1368693-28-0
Molecular Formula:
C13H19N
Molecular Weight:
189.2967
MDL Number:
MFCD21876993
IUPAC Name:
7-ethyl-3-propan-2-yl-2,3-dihydro-1H-indole
InChI:
InChI=1S/C13H19N/c1-4-10-6-5-7-11-12(9(2)3)8-14-13(10)11/h5-7,9,12,14H,4,8H2,1-3H3
InChI Key:
BQPOGHNEGNGLJP-UHFFFAOYSA-N
SMILES:
CCc1cccc2c1NCC2C(C)C
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.152g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.302g/mol
Monoisotopic Mass:
189.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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