Structure Info
- Chemspace ID
- CSSS00134616233 (In-Stock Screening Compounds)
- CAS
- 250275-07-1, 2636698-78-5
- MFCD
- MFCD31743971, MFCD28396664
- IUPAC Name
- tert-butyl N-[(3aS,7aR)-octahydro-1H-isoindol-3a-yl]carbamate
- Mol formula
- C13H24N2O2
- Mol weight
- 240 Da
- Catalog Number(s)
- A613157, BB4LS-EN300-7426732, BBV-136532763, BD00802799, CM389739, CSC134616233, EN300-7426732, FCH19869851, PBZ4719, Q64001, Y4035292, Z3699075009
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.71
- Heavy atoms count
- 17
- Rotatable bond count
- 3
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.923
- Polar surface area (Å)
- 50
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSSS00134616233
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