3-(4-Bromo-3-indolyl)-1-propanamine - CAS 1000545-62-9
Catalog: |
BB000048 |
Product Name: |
3-(4-Bromo-3-indolyl)-1-propanamine |
CAS: |
1000545-62-9 |
Synonyms: |
3-(4-bromo-1H-indol-3-yl)-1-propanamine; 3-(4-bromo-1H-indol-3-yl)propan-1-amine |
IUPAC Name: | 3-(4-bromo-1H-indol-3-yl)propan-1-amine |
Description: | 3-(4-Bromo-3-indolyl)-1-propanamine (CAS# 1000545-62-9 ) is a useful research chemical. |
Molecular Weight: | 253.14 |
Molecular Formula: | C11H13BrN2 |
Canonical SMILES: | C1=CC2=C(C(=C1)Br)C(=CN2)CCCN |
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 |
LogP: | 3.52200 |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.02621 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.02621 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 41.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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