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Home > Indoles and Oxindole > 46739-06-4
46739-06-4 | 2-(MORPHOLIN-4-YLMETHYL)-1H-INDOLE
CAS No: 46739-06-4 Catalog No: AG01BPVU MDL No:MFCD24550393
Product Description
Catalog Number:
AG01BPVU
Chemical Name:
2-(MORPHOLIN-4-YLMETHYL)-1H-INDOLE
CAS Number:
46739-06-4
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
MDL Number:
MFCD24550393
IUPAC Name:
4-(1H-indol-2-ylmethyl)morpholine
InChI:
InChI=1S/C13H16N2O/c1-2-4-13-11(3-1)9-12(14-13)10-15-5-7-16-8-6-15/h1-4,9,14H,5-8,10H2
InChI Key:
AQTUTBPTRQEZDU-UHFFFAOYSA-N
SMILES:
O1CCN(CC1)Cc1cc2c([nH]1)cccc2
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.284g/mol
Monoisotopic Mass:
216.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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