6-Methyl-3,4-dihydroisoquinoline

HCID 14780997

Notes Reactions

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Basic information

CAS: 69426-28-4
Standard SMILES: Cc1ccc2c(c1)CCN=C2
InChIKey: XOOOUJBSMPPYDL-UHFFFAOYSA-N
Molecular formula: C10H11N
Average molar mass: 145.2 g/mol
Monoisotopic mass: 145.08914935

Names & identifiers

Preferred name: 6-Methyl-3,4-dihydroisoquinoline
IUPAC: 6-methyl-3,4-dihydroisoquinoline
English name: 3,4-dihydro-6-methylIsoquinoline
Molecular formula: C10H11N
Molecular weight: 145.2

Names & synonyms

6-Methyl-3,4-dihydroisoquinoline69426-28-4SCHEMBL7938077SCHEMBL28191945SCHEMBL30025550DTXSID40563942DA-247053,4-dihydro-6-methylIsoquinolineIsoquinoline, 3,4-dihydro-6-methyl-

Database identifiers

CAS: 69426-28-4
PubChem CID: 14780997
DTXSID: DTXSID40563942

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 12.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 162

Physicochemical properties

Boiling point: 252.8 · 252.8±40.0 °C(Predicted)
Density: 1.03 · 1.03±0.1 g/cm3(Predicted)
pka: 6.03 · 6.03±0.20(Predicted)

Chemistry & industry

Suppliers1 total

宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]

Related reactions

1 records

New reaction record

HRID 1116448As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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