4-Methylpiperidine-2,2,6,6-d4
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Basic information
- CAS
1219798-85-2- Standard SMILES
[2H]C1([2H])CC(C)CC([2H])([2H])N1- InChIKey
UZOFELREXGAFOI-CQOLUAMGSA-N- Molecular formula
- C6H13N
- Average molar mass
- 103.2 g/mol
Names & identifiers
- Preferred name
- 4-Methylpiperidine-2,2,6,6-d4
- IUPAC
- 2,2,6,6-tetradeuterio-4-methylpiperidine
- English name
- 4-Methylpiperidine--d4
- Molecular formula
- C6H9D4N
- Molecular weight
- 103.2
Names & synonyms
4-Methylpiperidine-2,2,6,6-d41219798-85-22,2,6,6-tetradeuterio-4-methyl-piperidineDB-306100D979724-Methylpiperidine--d4
Database identifiers
- CAS
1219798-85-2
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 46.1
Physicochemical properties
- Boiling point
- 129.562 · 129.562±8.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.81 · 0.810±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.69 · 10.690±0.10(predicted)
Chemistry & industry
Applications
Uses4-Methylpiperidine-2,2,6,6-d4 (CAS# 1219798-85-2) is a useful isotopically labeled research compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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