Adamantane-1,4-diol

HCID 4252005
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Basic information

CAS
20098-16-2
Standard SMILES
OC1C2CC3CC1CC(O)(C3)C2
InChIKey
AUKWRHADVIQZRJ-UHFFFAOYSA-N
Molecular formula
C10H16O2
Average molar mass
168.23 g/mol
Monoisotopic mass
168.11502975

Overview

Adamantane-1,4-diol is an adamantanol.

Names & identifiers

Preferred name
Adamantane-1,4-diol
IUPAC
adamantane-1,4-diol
English name
1,4-Adamantandiol
Molecular formula
C10H16O2
Molecular weight
168.23

Names & synonyms

adamantane-1,4-diol20098-16-21,4-ADAMANTANDIOL1,4-AdamantanediolTricyclo[3.3.1.13,7]decane-1,4-diolMFCD001810511,4-dihydroxyadamantane1,4(a)-DihydroxyadamantaneOprea1_146509SCHEMBL1772242CHEBI:48583DTXSID50401245
Show more names
AUKWRHADVIQZRJ-UHATZWDWSA-NAUKWRHADVIQZRJ-UHFFFAOYSA-NAKOS003607725SB84857BS-42515DB-003065Q27121274

Database identifiers

CAS
20098-16-2
PubChem CID
4252005
DTXSID
DTXSID50401245
ChEBI
CHEBI:48583

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
40.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
12

Physicochemical properties

Melting point
327 · 327-331 °C
Boiling point
319 · 319.0±10.0 °C(Predicted)
Density
1.312 · 1.312±0.06 g/cm3(Predicted)
pka
14.59 · 14.59±0.40(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers15 total

安徽合诺生物科技有限公司0555-2761852
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
安徽合诺生物科技有限公司18455579438
常州市华阳科技有限公司+8615250961469 · [email protected]
无锡中坤生化科技有限公司+86 0510-85629785

Additional notes

DefinitionChEBI: Adamantane-1,4-diol is an adamantanol.

Related reactions

7 records
New reaction record

Compound notes

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