6-Isopropylindole-3-carboxaldehyde - CAS 170489-34-6
Catalog: |
BB012651 |
Product Name: |
6-Isopropylindole-3-carboxaldehyde |
CAS: |
170489-34-6 |
Synonyms: |
6-propan-2-yl-1H-indole-3-carbaldehyde |
IUPAC Name: | 6-propan-2-yl-1H-indole-3-carbaldehyde |
Description: | 6-Isopropylindole-3-carboxaldehyde (CAS# 170489-34-6 ) is a useful research chemical. |
Molecular Weight: | 187.24 |
Molecular Formula: | C12H13NO |
Canonical SMILES: | CC(C)C1=CC2=C(C=C1)C(=CN2)C=O |
InChI: | InChI=1S/C12H13NO/c1-8(2)9-3-4-11-10(7-14)6-13-12(11)5-9/h3-8,13H,1-2H3 |
InChI Key: | KAJUTJHDGBYGSL-UHFFFAOYSA-N |
MDL: | MFCD20662814 |
LogP: | 0.00000 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CZ-307163-B6 | Helquats with heteroaromatic substituents, preparation thereof, and use thereof as G-quadruplex stabilizers | 20140529 |
EP-3148997-A1 | Helquats with heteroaromatic substituents, preparation thereof, and use thereof as g-quadruplex stabilizers | 20140529 |
EP-3148997-B1 | Helquats with heteroaromatic substituents, preparation thereof, and use thereof as g-quadruplex stabilizers | 20140529 |
US-2017096433-A1 | Helquats with heteroaromatic substituents, preparation thereof, and use thereof as g-quadruplex stabilizers | 20140529 |
US-9932339-B2 | Helquats with heteroaromatic substituents, preparation thereof, and use thereof as G-quadruplex stabilizers | 20140529 |
Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.099714038 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 32.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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