(3R)-(-)-3-(1-Methyl-1H-indol-3-yl)butyraldehyde - CAS 405873-05-4
Catalog: |
BB024571 |
Product Name: |
(3R)-(-)-3-(1-Methyl-1H-indol-3-yl)butyraldehyde |
CAS: |
405873-05-4 |
Synonyms: |
(3R)-3-(1-methylindol-3-yl)butanal |
IUPAC Name: | (3R)-3-(1-methylindol-3-yl)butanal |
Description: | (3R)-(-)-3-(1-Methyl-1H-indol-3-yl)butyraldehyde (CAS# 405873-05-4 ) is a useful research chemical. |
Molecular Weight: | 201.26 |
Molecular Formula: | C13H15NO |
Canonical SMILES: | CC(CC=O)C1=CN(C2=CC=CC=C21)C |
InChI: | InChI=1S/C13H15NO/c1-10(7-8-15)12-9-14(2)13-6-4-3-5-11(12)13/h3-6,8-10H,7H2,1-2H3/t10-/m1/s1 |
InChI Key: | OQWWHYBHQFZHLP-SNVBAGLBSA-N |
MDL: | MFCD05664285 |
LogP: | 2.87080 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2009030216-A1 | Organic salts and method for producing chiral organic compounds | 20060301 |
US-7683191-B2 | Organic salts and method for producing chiral organic compounds | 20060301 |
WO-2007098741-A2 | Organic salts and method for producing chiral organic compounds | 20060301 |
EP-1412335-A2 | ENANTIOSELECTIVE TRANSFORMATION OF $g(a), $g(b)-UNSATURATED ALDEHYDES USING CHIRAL ORGANIC CATALYSTS | 20010629 |
EP-1412335-A4 | ENANTIOSELECTIVE TRANSFORMATION OF $ G (A), $ G (B) -UNSATURATED ALDEHYDES USING CHIRAL ORGANIC CATALYSTS | 20010629 |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.115364102 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.115364102 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 22 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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