trans-2-(4-Hydroxycyclohexyl)-isoindole-1,3-dione

HCID 288726
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Basic information

CAS
99337-98-1
Standard SMILES
O=C1c2ccccc2C(=O)N1C1CCC(O)CC1
InChIKey
YLHCMDNAKVPTIO-MGCOHNPYSA-N
Molecular formula
C14H15NO3
Average molar mass
245.27 g/mol

Names & identifiers

Preferred name
trans-2-(4-Hydroxycyclohexyl)-isoindole-1,3-dione
IUPAC
2-(4-hydroxycyclohexyl)isoindole-1,3-dione
English name
2-(trans-4-Hydroxycyclohexyl)-1H-isoindole-1,3(2H)-dione
Molecular formula
C14H15NO3
Molecular weight
245.27

Names & synonyms

99337-98-1trans-2-(4-hydroxycyclohexyl)-isoindole-1,3-dioneRefChem:898747804-841-1104618-31-72-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione2-(4-hydroxycyclohexyl)isoindoline-1,3-dione2-(trans-4-Hydroxycyclohexyl)-1H-isoindole-1,3(2H)-dione4-(Phthalimide)cyclohexanoltrans-N-(4-Hydroxycyclohexyl)phthalimideTRANS-2-(4-HYDROXY-CYCLOHEXYL)-ISOINDOLE-1,3-DIONE2-(4-hydroxycyclohexyl)isoindole-1,3-dione
Show more names
2-(trans-4-Hydroxycyclohexyl)isoindole-1,3-dione2-((1R,4R)-4-hydroxycyclohexyl) isoindoline-1,3-dione2-(trans-4-Hydroxycyclohexyl)-1H-isoindoline-1,3-dione1H-Isoindole-1,3(2H)-dione, 2-(trans-4-hydroxycyclohexyl)-
MFCD084609722-(4-hydroxycyclohexyl)-1h-isoindole-1,3(2h)-dioneMFCD098422792-(4-hydroxycyclohexyl)-2,3-dihydro-1H-isoindole-1,3-dione2-((1r,4r)-4-hydroxycyclohexyl)isoindoline-1,3-dionetrans-2-(4-hydroxycyclohexyl)-1H-isoindole-1,3(2H)-dione2-[(1R,4R)-4-hydroxycyclohexyl]isoindoline-1,3-dione2-(4-Hydroxy-cyclohexyl)-isoindole-1,3-dione

Database identifiers

CAS
99337-98-1
PubChem CID
288726
EC Number
804-841-1

Properties

Computed structural properties

XLogP
2
Topological polar surface area
57.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
18

Physicochemical properties

Boiling point
410.1 · 410.1±38.0 °C(Predicted)
Density
1.365 · 1.365
storage temp.
Inert atmosphere,Room Temperature
pka
14.99 · 14.99±0.40(Predicted)
Appearance
White to off-white Solid
Symbol(GHS)
7 · GHS07

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Safety data

hs_code
2933998090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H317-H319-H335
Precautionary statements
P261-P280-P305+P351+P338

Chemistry & industry

Applications

Uses2-(trans-4-Hydroxycyclohexyl)-1H-isoindole-1,3(2H)-dione is an impurity of Pramipexole (P700755), a dopamine-D2-receptor agonist used in the early treatments of Parkinson''s disease and restless legs syndrome.

Suppliers47 total

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
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]
上海超悦化学科技有限公司（原上海斯比德化学）21-65679720 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]

Related reactions

39 records
New reaction record

Compound notes

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