Basic information
- CAS
7544-93-6- Standard SMILES
CN1CCCC1=Nc1ccccc1- InChIKey
CEJCBMLKKRWTMX-UHFFFAOYSA-N- Molecular formula
- C11H14N2
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.11569846
Names & identifiers
- Preferred name
- 1-Methyl-N-phenylpyrrolidin-2-imine
- IUPAC
- 1-methyl-N-phenylpyrrolidin-2-imine
- English name
- 1-Methyl-2-(phenylimino)pyrrolidine
- Molecular formula
- C11H14N2
- Molecular weight
- 174.24
Names & synonyms
1-methyl-N-phenylpyrrolidin-2-imineBenzenamine, N-(1-methyl-2-pyrrolidinylidene)-NSC-203401X3ST47595FRefChem:10558341-Methyl-2-phenyliminopyrrolidinePyrrolidine, 1-methyl-2-(phenylimino)-7544-93-6MLS003107180NSC 203401BRN 15277791-Methyl-2-(phenylimino)pyrrolidine
Show more names
NSC203401(1-methyl-pyrrolidin-2-ylidene)-phenyl-amine5-21-06-00325 (Beilstein Handbook Reference)WLN: T5NYTJ A1 BUNRSCHEMBL8670784SCHEMBL8670787CHEMBL3182605SMR001822056
Database identifiers
- CAS
7544-93-6- PubChem CID
- 99754
- ChEMBL
CHEMBL3182605- UNII
- X3ST47595F
- Nikkaji
- J51.456J
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 15.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Boiling point
- 90 °C · 90 °C(Press: 0.01 Torr)
- Density
- 1.042 · 1.042±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.276 · 10.276±0.20(predicted)
- FDA UNII
- 3 ST47595F · X3ST47595F
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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