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130445-58-8 | 1H-Indole-2-methanamine, 5-methoxy-1-methyl-N-2-propyn-1-yl-
CAS No: 130445-58-8 Catalog No: AG000UFF MDL No:
Product Description
Catalog Number:
AG000UFF
Chemical Name:
1H-Indole-2-methanamine, 5-methoxy-1-methyl-N-2-propyn-1-yl-
CAS Number:
130445-58-8
Molecular Formula:
C14H16N2O
Molecular Weight:
228.2896
IUPAC Name:
N-[(5-methoxy-1-methylindol-2-yl)methyl]prop-2-yn-1-amine
InChI:
InChI=1S/C14H16N2O/c1-4-7-15-10-12-8-11-9-13(17-3)5-6-14(11)16(12)2/h1,5-6,8-9,15H,7,10H2,2-3H3
InChI Key:
PHOSPXFMBUITGW-UHFFFAOYSA-N
SMILES:
C#CCNCc1cc2c(n1C)ccc(c2)OC
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.295g/mol
Monoisotopic Mass:
228.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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