Basic information
- CAS
96221-86-2- Standard SMILES
CNc1ccccc1N1CCNCC1- InChIKey
FDZXJVNEJMPIHD-UHFFFAOYSA-N- Molecular formula
- C11H17N3
- Average molar mass
- 191.27 g/mol
- Monoisotopic mass
- 191.14224756
Names & identifiers
- Preferred name
- N-Methyl-2-piperazin-1-ylaniline
- IUPAC
- N-methyl-2-piperazin-1-ylaniline
- English name
- Benzenamine, N-methyl-2-(1-piperazinyl)- (9CI)
- Molecular formula
- C11H17N3
- Molecular weight
- 191.27
Names & synonyms
96221-86-2N-METHYL-2-PIPERAZIN-1-YLANILINESCHEMBL8700092SCHEMBL30609627DTXSID90557316N-Methyl-2-(piperazin-1-yl)anilineN-methyl-2-(1-piperazinyl)benzenamineDB-3613791-[2-(Methylamino)phenyl]piperazineN-METHYL-2-(1-PIPERAZINYL)-BENZENAMINEBenzenamine, N-methyl-2-(1-piperazinyl)-Benzenamine, N-methyl-2-(1-piperazinyl)- (9CI)
Database identifiers
- CAS
96221-86-2- PubChem CID
- 14201284
- DTXSID
DTXSID90557316
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 27.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Boiling point
- 352 ℃ · 352℃
- Density
- 1.079 · 1.079
- Flash point
- 197 ℃ · 197℃
- pka
- 8.98 · 8.98±0.10(Predicted)
Chemistry & industry
Suppliers2 total
深圳市创鑫生物科技有限公司13417589054 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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