Basic information
- CAS
42164-56-7- Standard SMILES
CC(CNCc1ccccc1)NCc1ccccc1- InChIKey
NADLSYHUPNECSA-UHFFFAOYSA-N- Molecular formula
- C17H22N2
- Average molar mass
- 254.37 g/mol
- Monoisotopic mass
- 254.17829871
Names & identifiers
- Preferred name
- 1-N,2-N-dibenzylpropane-1,2-diamine
- IUPAC
- 1-N,2-N-dibenzylpropane-1,2-diamine
- English name
- N,N-dibenzylpropane-1,2-diamine
- Molecular formula
- C17H22N2
- Molecular weight
- 254.37
Names & synonyms
42164-56-71-N,2-N-dibenzylpropane-1,2-diamineN,N-DIBENZYLPROPANE-1,2-DIAMINENSC15523CHEMBL454271SCHEMBL4446395SCHEMBL4446397SCHEMBL4975349DTXSID80962319NADLSYHUPNECSA-UHFFFAOYSA-NN1,N2-dibenzylpropane-1,2-diamineNSC-15523
Show more names
N,N'-dibenzyl-1,2-diaminopropane1,2-Propanediamine, N1,N2-bis(phenylmethyl)-
N~1~,N~2~-Dibenzylpropane-1,2-diamine
Database identifiers
- CAS
42164-56-7- PubChem CID
- 225777
- DTXSID
DTXSID80962319- ChEMBL
CHEMBL454271
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Boiling point
- 169 · 169-170 °C(Press: 2 Torr)
- Density
- 1.015 · 1.015±0.06 g/cm3(Predicted)
- pka
- 8.94 · 8.94±0.19(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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