β-Methyl-1H-Indole-3-ethanamine Monohydrochloride - CAS 1201-23-6
Catalog: |
BB056611 |
Product Name: |
β-Methyl-1H-Indole-3-ethanamine Monohydrochloride |
CAS: |
1201-23-6 |
Synonyms: |
2-(1H-INDOL-3-YL)PROPAN-1-AMINE HCL; 2-(1H-indol-3-yl)propan-1-amine hydrochloride; 2-(1H-INDOL-3-YL)PROPAN-1-AMINEHCL |
IUPAC Name: | 2-(1H-indol-3-yl)propan-1-aminehydrochloride |
Description: | β-Methyl-1H-Indole-3-ethanamine Monohydrochloride is used in the preparation of nuclear receptors |
Molecular Weight: | 174.24 + 36.46 |
Molecular Formula: | C11H14N2·HCl |
Canonical SMILES: | CC(CN)C1=CNC2=CC=CC=C21.Cl |
InChI: | InChI=1S/C11H14N2.ClH/c1-8(6-12)10-7-13-11-5-3-2-4-9(10)11/h2-5,7-8,13H,6,12H2,1H31H |
InChI Key: | REFZTIWVELBEFV-UHFFFAOYSA-N |
References: | Busch, Brett. et al., U.S. Pat. Appl. Publ. 106 pp.(2005). |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.0923762 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.0923762 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 41.8Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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