Isoquinolin-3-ylmethanol

HCID 12874869CAS 76884-34-9
Substructure searchFind similar structures

Basic information

Standard SMILES
OCc1cc2ccccc2cn1
InChIKey
CMGQQHGOFWZGJH-UHFFFAOYSA-N
Molecular formula
C10H9NO
Average molar mass
159.18 g/mol
Monoisotopic mass
159.06841391

Names & identifiers

Preferred name
Isoquinolin-3-ylmethanol
IUPAC
isoquinolin-3-ylmethanol
English name
isoquinolin-3-ylmethanol
Molecular formula
C10H9NO
Molecular weight
159.18

Names & synonyms

isoquinolin-3-ylmethanol76884-34-93-Isoquinolinemethanol(isoquinolin-3-yl)methanolMFCD018597983-Isoquinolylmethanolisoquinolin-3-yl methanolIsoquinolin-3-yl-methanol3-Hydroxymethylisoquinoline3-(hydroxymethyl)isoquinolineSCHEMBL1999306AMY1762
Show more names
isoquinolin-3-ylmethanol ISO 9001：2015 REACH
3-Isoquinolinylmethanol3-isoquinolylmethan-1-olSCHEMBL6598600SCHEMBL11149746DTXSID20512115CMGQQHGOFWZGJH-UHFFFAOYSA-NSBB087369AKOS006279633

Database identifiers

CAS
76884-34-9
PubChem CID
12874869
DTXSID
DTXSID20512115
Nikkaji
J1.695.140D

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
33.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
12

Physicochemical properties

Melting point
81 ℃ · 81℃
Boiling point
335.1 · 335.1±17.0 °C(Predicted)
Density
1.218 · 1.218±0.06 g/cm3 (20 ºC 760 Torr)
storage temp.
Sealed in dry,Room Temperature
pka
13.48 · 13.48±0.10(Predicted)
Appearance
White to yellow Solid

Safety & regulation

Safety data

hs_code
2933499090

Chemistry & industry

Upstream & downstream products

Suppliers48 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]

Related reactions

10 records
New reaction record

Linked notes

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