(3S)-(+)-3-(1-Methylindol-3-yl)-3-phenylpropionaldehyde - CAS 405873-09-8
Catalog: |
BB024572 |
Product Name: |
(3S)-(+)-3-(1-Methylindol-3-yl)-3-phenylpropionaldehyde |
CAS: |
405873-09-8 |
Synonyms: |
(3S)-3-(1-methylindol-3-yl)-3-phenylpropanal |
IUPAC Name: | (3S)-3-(1-methylindol-3-yl)-3-phenylpropanal |
Description: | (3S)-(+)-3-(1-Methylindol-3-yl)-3-phenylpropionaldehyde (CAS# 405873-09-8 ) is a useful research chemical. |
Molecular Weight: | 263.33 |
Molecular Formula: | C18H17NO |
Canonical SMILES: | CN1C=C(C2=CC=CC=C21)C(CC=O)C3=CC=CC=C3 |
InChI: | InChI=1S/C18H17NO/c1-19-13-17(16-9-5-6-10-18(16)19)15(11-12-20)14-7-3-2-4-8-14/h2-10,12-13,15H,11H2,1H3/t15-/m0/s1 |
InChI Key: | IAWAPDWVVBQEPB-HNNXBMFYSA-N |
MDL: | MFCD05664277 |
LogP: | 3.89920 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H318 (100%): Causes serious eye damage [Danger 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, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P313, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
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 |
US-2003109718-A1 | Enantioselective transformation of alpha, beta-unsaturated aldehydes using chiral organic catalysts | 20010629 |
US-6784323-B2 | Enantioselective transformation of α,β-unsaturated aldehydes using chiral organic catalysts | 20010629 |
WO-03002491-A2 | ENANTIOSELECTIVE TRANSFORMATION OF α, β-UNSATURATED ALDEHYDES USING CHIRAL ORGANIC CATALYSTS | 20010629 |
Complexity: | 323 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 263.131014166 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 263.131014166 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 22 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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