Basic information
- CAS
21026-75-5- Standard SMILES
CC(Cc1ccccc1)NCCc1ccccc1- InChIKey
MRVIUBHXZKIUJZ-UHFFFAOYSA-N- Molecular formula
- C17H21N
- Average molar mass
- 239.35 g/mol
- Monoisotopic mass
- 239.16739967
Overview
RN given refers to parent cpd without isomeric designation
Names & identifiers
- Preferred name
- Iem 570
- IUPAC
- 1-phenyl-N-(2-phenylethyl)propan-2-amine
- English name
- Diphenethylamine, alpha-methyl-
- Molecular formula
- C17H21N
- Molecular weight
- 239.36
Names & synonyms
21026-75-5Iem-570IEM 570RefChem:923301Benzeneethanamine, alpha-methyl-N-(2-phenylethyl)-1-Phenyl-N-(2-phenylethyl)propan-2-amineSCHEMBL19498788DTXSID00943322MRVIUBHXZKIUJZ-UHFFFAOYSA-NUS11999676, Compound 1BDBM679139Diphenethylamine, .alpha.-methyl-
Show more names
Diphenethylamine, alpha-methyl-N-Phenethyl-1-phenylpropane-2-amineN-(α-Methylphenethyl)phenethylamineBenzeneethanamine, α-methyl-N-(2-phenylethyl)-
AKOS005359216N-(1-Methyl-2-phenylethyl)-N-(2-phenylethyl)amine #
Database identifiers
- CAS
21026-75-5- PubChem CID
- 22703
- DTXSID
DTXSID00943322- Nikkaji
- J99.841I
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Boiling point
- 362.4 · 362.4±11.0 °C(Predicted)
- Density
- 0.99 · 0.990±0.06 g/cm3(Predicted)
- pka
- 9.97 · 9.97±0.28(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…