7-Ethyl-2,3-dihydrotryptophol - CAS 114737-75-6
Catalog: |
BB065758 |
Product Name: |
7-Ethyl-2,3-dihydrotryptophol |
CAS: |
114737-75-6 |
Synonyms: |
2-(7-ethylindolin-3-yl)ethanol; 7-Ethyl-2,3-dihydrotryptophol; 2-(7-ethyl-2,3-dihydro-1H-indol-3-yl)ethanol |
IUPAC Name: | 2-(7-ethyl-2,3-dihydro-1H-indol-3-yl)ethanol |
Molecular Weight: | 191.27 |
Molecular Formula: | C12H17NO |
Canonical SMILES: | CCC1=C2C(=CC=C1)C(CN2)CCO |
InChI: | InChI=1S/C12H17NO/c1-2-9-4-3-5-11-10(6-7-14)8-13-12(9)11/h3-5,10,13-14H,2,6-8H2,1H3 |
InChI Key: | WQHGTUYNOTUVDR-UHFFFAOYSA-N |
Solubility: | DCM, Methanol |
Appearance: | Off-White Solid |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P273, P301+P317, P319, P330, P391, and P501 |
Signal Word: | Warning |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.131014166 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.131014166 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 32.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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