Basic information
- CAS
4636-65-1- Standard SMILES
Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O- InChIKey
VZUVOYFTHDDTLB-UHFFFAOYSA-N- Molecular formula
- C14H16N2O2
- Average molar mass
- 244.29 g/mol
- Monoisotopic mass
- 244.12117776
Names & identifiers
- Preferred name
- 5-Amino-2-cyclohexylisoindole-1,3-dione
- IUPAC
- 5-amino-2-cyclohexylisoindole-1,3-dione
- English name
- 5-amino-2-cyclohexyl-2,3-dihydro-1H-isoindole-1,3-dione
- Molecular formula
- C14H16N2O2
- Molecular weight
- 244.29
Names & synonyms
5-amino-2-cyclohexylisoindole-1,3-dione4636-65-14-amino-N-cyclohexylphthalimid5-amino-2-cyclohexyl-2,3-dihydro-1h-isoindole-1,3-dione5-amino-2-cyclohexyl-isoindole-1,3-dioneMFCD02767208Cambridge id 70513625-amino-2-cyclohexyl-1H-isoindole-1,3(2H)-dioneSCHEMBL10663580STK223627AKOS003284363SB65244
Show more names
1H-Isoindole-1,3(2H)-dione, 5-amino-2-cyclohexyl-
5-Amino-2-cyclohexylisoindoline-1,3-dione5-amino-2-cyclohexyl-isoindoline-1,3-dioneSR-01000250431SR-01000250431-12-Isopropyl-1-methyl-1 H -benzoimidazol-5-ylamine; dihydrochloride
Database identifiers
- CAS
4636-65-1- PubChem CID
- 804459
- EC Number
- 109-826-7
- Nikkaji
- J2.110.814F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 363
Experimental & physicochemical properties
SpringerMaterials PropertiesLuminescence
Physicochemical properties
- Boiling point
- 438 · 438.0±28.0 °C(Predicted)
- Density
- 1.32 · 1.320±0.06 g/cm3(Predicted)
- pka
- 0.88 · 0.88±0.20(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…