5-Chloro-1H-indole-3-methanamine - CAS 113188-83-3
Catalog: |
BB003136 |
Product Name: |
5-Chloro-1H-indole-3-methanamine |
CAS: |
113188-83-3 |
Synonyms: |
(5-chloro-1H-indol-3-yl)methanamine; (5-chloro-1H-indol-3-yl)methanamine |
IUPAC Name: | (5-chloro-1H-indol-3-yl)methanamine |
Description: | 5-Chloro-1H-indole-3-methanamine (CAS# 113188-83-3 ) is a useful research chemical. |
Molecular Weight: | 180.63 |
Molecular Formula: | C9H9ClN2 |
Canonical SMILES: | C1=CC2=C(C=C1Cl)C(=CN2)CN |
InChI: | InChI=1S/C9H9ClN2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5,12H,4,11H2 |
InChI Key: | WZHCQPLLALCYQP-UHFFFAOYSA-N |
Boiling Point: | 369.8 °C at 760 mmHg |
Density: | 1.349 g/cm3 |
Storage: | Keep in dark place, Inert atmosphere, 2-8 °C |
LogP: | 2.98030 |
Publication Number | Title | Priority Date |
US-10023557-B2 | Therapeutic inhibitory compounds | 20150701 |
US-10308637-B2 | Therapeutic inhibitory compounds | 20150701 |
US-2017029406-A1 | Therapeutic inhibitory compounds | 20150701 |
US-2019002437-A1 | Therapeutic inhibitory compounds | 20150701 |
WO-2017001924-A1 | Therapeutic inhibitory compouds | 20150701 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.045426 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.045426 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 41.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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