3-[(1-Methylpiperidin-4-yl)oxy]propanenitrile
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Basic information
- CAS
98880-85-4- Standard SMILES
CN1CCC(OCCC#N)CC1- InChIKey
IFHVVMKRLUAJSS-UHFFFAOYSA-N- Molecular formula
- C9H16N2O
- Average molar mass
- 168.24 g/mol
- Monoisotopic mass
- 168.12626314
Names & identifiers
- Preferred name
- 3-[(1-Methylpiperidin-4-yl)oxy]propanenitrile
- IUPAC
- 3-(1-methylpiperidin-4-yl)oxypropanenitrile
- English name
- 3-[(1-Methylpiperidin-4-yl)oxy]propanenitrile
- Molecular formula
- C9H16N2O
- Molecular weight
- 168.24
Names & synonyms
98880-85-43-[(1-methylpiperidin-4-yl)oxy]propanenitrile3-((1-Methylpiperidin-4-yl)oxy)propanenitrile3-(1-methylpiperidin-4-yl)oxypropanenitrileMFCD19103485propanenitrile, 3-[(1-methyl-4-piperidinyl)oxy]-ALBB-016722AKOS015959869SB43040LS-052333-[(1-methyl-4-piperidyl)oxy]propanenitrileH31694
Show more names
3-(1-methyl-piperidin-4-yloxy)-propionitrile
Database identifiers
- CAS
98880-85-4- PubChem CID
- 56760820
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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