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1000545-62-9

1000545-62-9 | 1H-Indole-3-propanamine, 4-bromo-

CAS No: 1000545-62-9 Catalog No: AG0000PI MDL No:

Product Description

Catalog Number:
AG0000PI
Chemical Name:
1H-Indole-3-propanamine, 4-bromo-
CAS Number:
1000545-62-9
Molecular Formula:
C11H13BrN2
Molecular Weight:
253.1383
IUPAC Name:
3-(4-bromo-1H-indol-3-yl)propan-1-amine
InChI:
InChI=1S/C11H13BrN2/c12-9-4-1-5-10-11(9)8(7-14-10)3-2-6-13/h1,4-5,7,14H,2-3,6,13H2
InChI Key:
CTKZNEVEUQTVPG-UHFFFAOYSA-N
SMILES:
NCCCc1c[nH]c2c1c(Br)ccc2

Properties

Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.026g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
253.143g/mol
Monoisotopic Mass:
252.026g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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