Products for Research Use Only
RegisterLogin

Hexahydrophthalimide

CAT: 0013-GTR19250912-01Size: 1 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19250912-01Size:1 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Hexahydrophthalimide
CAS Number
1444-94-6
Purity
98.00% (May vary between batches)
Smiles
O=C1NC (=O) C2CCCCC12
Molecular Formula
C8H11NO2
Molecular Weight
153.18
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1H-Isoindole-1,3(2H)-dione, hexahydro-
CAS Number1444-94-6
PubChem CID73559
IUPAC Name3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Molecular FormulaC8H11NO2
Molecular Weight153.18
XLogP0.6
Topological Polar Surface Area46.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity190
SMILES
C1CCC2C(C1)C(=O)NC2=O
InChI
InChI=1S/C8H11NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h5-6H,1-4H2,(H,9,10,11)
InChIKey
WLDMPODMCFGWAA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1H-Isoindole-1,3(2H)-dione, hexahydro-
CAS: 1444-94-6
CID: 73559
Formula: C8H11NO2
MW: 153.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight153.18
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass153.078978594
Monoisotopic Mass153.078978594
Topological Polar Surface Area46.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity190
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
abx184113-01Hexahydrophthalimide
OR1012696-01Cis-Hexahydrophthalimide

Popular Products