Basic information
- CAS
1353985-95-1- Standard SMILES
CCN(CC(=O)O)C1CCN(Cc2ccccc2)CC1- InChIKey
XJMZZSGIVPQNIW-UHFFFAOYSA-N- Molecular formula
- C16H24N2O2
- Average molar mass
- 276.37 g/mol
- Monoisotopic mass
- 276.18377801
Names & identifiers
- Preferred name
- [(1-Benzyl-piperidin-4-yl)-ethyl-amino]-acetic acid
- IUPAC
- 2-[(1-benzylpiperidin-4-yl)-ethylamino]acetic acid
- English name
- [(1-Benzyl-piperidin-4-yl)-ethyl-aMino]-acetic acid
- Molecular formula
- C16H24N2O2
- Molecular weight
- 276.37
Names & synonyms
1353985-95-1[(1-Benzyl-piperidin-4-yl)-ethyl-amino]-acetic acid2-((1-Benzylpiperidin-4-yl)(ethyl)amino)acetic acidAKOS014396087DB-2483262-((1-Benzylpiperidin-4-yl)(ethyl)amino)aceticacid2-[(1-benzyl-4-piperidyl)-ethyl-amino]acetic acid2-[(1-benzylpiperidin-4-yl)-ethylamino]acetic acidGlycine, N-ethyl-N-[1-(phenylmethyl)-4-piperidinyl]-
Database identifiers
- CAS
1353985-95-1- PubChem CID
- 65063283
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Boiling point
- 415.2 · 415.2±45.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- 2.25 · 2.25±0.10(Predicted)
Chemistry & industry
Suppliers1 total
江阴安博生物医药有限公司086-010-62176588 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…