5-Methylindoline - CAS 65826-95-1
Catalog: |
BB046671 |
Product Name: |
5-Methylindoline |
CAS: |
65826-95-1 |
Synonyms: |
2,3-Dihydro-5-methyl-1H-indole |
IUPAC Name: | 5-methyl-2,3-dihydro-1H-indole |
Description: | 5-Methylindoline (CAS# 65826-95-1 ) is a useful research chemical. |
Molecular Weight: | 133.19 |
Molecular Formula: | C9H11N |
Canonical SMILES: | CC1=CC2=C(C=C1)NCC2 |
InChI: | InChI=1S/C9H11N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-3,6,10H,4-5H2,1H3 |
InChI Key: | JFUAVVHABJWSFX-UHFFFAOYSA-N |
Boiling Point: | 240.766 °C at 760 mmHg |
Melting Point: | 241 °C |
Purity: | ≥ 97 % |
Density: | 1.03 g/cm3 |
GHS Hazard Statement: | H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]; H411 (97.44%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 |
Signal Word: | Danger |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 133.089149355 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 133.089149355 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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