Basic information
- CAS
51281-64-2- Standard SMILES
N#CC1=CCN(Cc2ccccc2)CC1- InChIKey
WXEFCWCPTMOIAH-UHFFFAOYSA-N- Molecular formula
- C13H14N2
- Average molar mass
- 198.26 g/mol
- Monoisotopic mass
- 198.11569846
Names & identifiers
- Preferred name
- 1-(Benzyl)-1,2,3,6-tetrahydroisonicotinonitrile
- IUPAC
- 1-benzyl-3,6-dihydro-2H-pyridine-4-carbonitrile
- English name
- 1-(benzyl)-1,2,3,6-tetrahydroisonicotinonitrile
- Molecular formula
- C13H14N2
- Molecular weight
- 198.26
Names & synonyms
51281-64-21-(Benzyl)-1,2,3,6-tetrahydroisonicotinonitrile1-benzyl-1,2,3,6-tetrahydropyridine-4-carbonitrile1-benzyl-3,6-dihydro-2H-pyridine-4-carbonitrileNSC-132889EINECS 257-106-7NSC132889Pethidine Impurity 11,2,3,6-tetrahydro-1-(phenylmethyl)-4-PyridinecarbonitrileNR3DJJ5AR2DTXSID10199277WXEFCWCPTMOIAH-UHFFFAOYSA-N
Show more names
1,2,3,6-Tetrahydro-1-benzyl-4-pyridinecarbonitrile
NSC 132889DB-071328NS000322451-benzyl-1,2,3,6-tetrahydro-pyridine-4-carbonitrile4-Pyridinecarbonitrile, 1,2,3,6-tetrahydro-1-(phenylmethyl)-
Database identifiers
- CAS
51281-64-2- PubChem CID
- 97563
- DTXSID
DTXSID10199277- UNII
- NR3DJJ5AR2
- EC Number
- 257-106-7
- Nikkaji
- J261.679C
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 278
Chemistry & industry
Suppliers4 total
济南百隆化学有限公司[email protected] · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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