5-Amino-2-(piperidin-1-yl)benzonitrile
Basic information
- CAS
34595-33-0- Standard SMILES
N#Cc1cc(N)ccc1N1CCCCC1- InChIKey
MLQIHUYICPOCGI-UHFFFAOYSA-N- Molecular formula
- C12H15N3
- Average molar mass
- 201.27 g/mol
- Monoisotopic mass
- 201.12659748
Names & identifiers
- Preferred name
- 5-Amino-2-(piperidin-1-yl)benzonitrile
- IUPAC
- 5-amino-2-piperidin-1-ylbenzonitrile
- English name
- 5-AMino-2-(piperidin-1-yl)benzonitrile
- Molecular formula
- C12H15N3
- Molecular weight
- 201.27
Names & synonyms
5-Amino-2-(piperidin-1-yl)benzonitrile34595-33-0MFCD146172605-amino-2-piperidin-1-ylbenzonitrile5-amino-2-(1-piperidyl)benzonitrileSCHEMBL57931635-amino-2-piperidinobenzonitrileDTXSID10445701MLQIHUYICPOCGI-UHFFFAOYSA-NAKOS010536183DS-22512-(1-piperidinyl)-5-(amino)benzonitrile
Show more names
SY103324Benzonitrile, 5-amino-2-(1-piperidinyl)-DB-113588CS-0155267F221332
Database identifiers
- CAS
34595-33-0- PubChem CID
- 10845751
- DTXSID
DTXSID10445701
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Boiling point
- 431.5 · 431.5±35.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 5.97 · 5.97±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
7 records
Compound notes
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