Basic information
- CAS
58432-92-1- Standard SMILES
CC(=O)NC12CCCC3CC(CCC31)C2- InChIKey
PZLXILFBALVYGT-UHFFFAOYSA-N- Molecular formula
- C13H21NO
- Average molar mass
- 207.31 g/mol
- Monoisotopic mass
- 207.16231429
Names & identifiers
- Preferred name
- N-(Decahydro-1,6-methanonaphthalen-1-yl)acetamide
- IUPAC
- N-(3-tricyclo[5.3.1.03,8]undecanyl)acetamide
- English name
- AcetaMide, N-(decahydro-1,6-Methanonaphthalen-1-yl)-
- Molecular formula
- C13H21NO
- Molecular weight
- 207.31
Names & synonyms
N-(Decahydro-1,6-methanonaphthalen-1-yl)acetamide58432-92-1N-(Octahydro-1,6-methanonaphthalen-1(2H)-yl)acetamideN-(3-tricyclo[5.3.1.03,8]undecanyl)acetamideCHEMBL3276680DTXSID80333525DB-308716N-{tricyclo[5.3.1.0,undecan-3-yl}acetamideN-{tricyclo[5.3.1.0(3),]undecan-3-yl}acetamideN-(Octahydro-1,6-methano-naphthalen-4a-yl)-acetamideAcetaMide, N-(decahydro-1,6-Methanonaphthalen-1-yl)-
Database identifiers
- CAS
58432-92-1- PubChem CID
- 511453
- DTXSID
DTXSID80333525- ChEMBL
CHEMBL3276680
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- Boiling point
- 368.6 · 368.6±9.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- pka
- 16.26 · 16.26±0.20(Predicted)
Chemistry & industry
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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