1,3-Dimethylisoquinoline

HCID 74402
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Basic information

CAS
1721-94-4
Standard SMILES
Cc1cc2ccccc2c(C)n1
InChIKey
SNQSGKQEGKHJCZ-UHFFFAOYSA-N
Molecular formula
C11H11N
Average molar mass
157.21 g/mol
Monoisotopic mass
157.08914935

Names & identifiers

Preferred name
1,3-Dimethylisoquinoline
IUPAC
1,3-dimethylisoquinoline
English name
1,3-dimethylisoquinoline
Molecular formula
C11H11N
Molecular weight
157.21

Names & synonyms

1,3-Dimethylisoquinoline1721-94-4EINECS 217-018-1DTXSID60169208RefChem:72739DTXCID0091699217-018-1WR3Y4W9FNZIsoquinoline, 1,3-dimethyl-dimethylisoquinolineUNII-WR3Y4W9FNZSCHEMBL637927
Show more names
1,3-dimethylisoquinoline sulfate)
SCHEMBL637928SCHEMBL1450748SCHEMBL1450968SCHEMBL27243959AKOS006371971NS00025646

Database identifiers

CAS
1721-94-4
PubChem CID
74402
DTXSID
DTXSID60169208
UNII
WR3Y4W9FNZ
EC Number
217-018-1
Nikkaji
J203.117E

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
12.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
12

Physicochemical properties

Melting point
180 °C · 180 °C
Boiling point
262 · 262-263 °C
Density
1.052 · 1.052±0.06 g/cm3(Predicted)
pka
6.5 · 6.50±0.50(Predicted)
FDA UNII
3 Y4W9FNZ · WR3Y4W9FNZ

Chemistry & industry

Suppliers7 total

常州布克化工有限公司13606129753 13775119556 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
广州安纳医药科技有限公司020-86211473 13925088720 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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