N-(1,3-diphenylpropan-2-yl)formamide
Basic information
- CAS
788-09-0- Standard SMILES
O=CNC(Cc1ccccc1)Cc1ccccc1- InChIKey
KOFWTKQQQJTHTD-UHFFFAOYSA-N- Molecular formula
- C16H17NO
- Average molar mass
- 239.31 g/mol
- Monoisotopic mass
- 239.13101417
Overview
See also: N-(1-Benzyl-2-phenylethyl)formamide (annotation moved to).
Names & identifiers
- Preferred name
- N-(1,3-diphenylpropan-2-yl)formamide
- IUPAC
- N-(1,3-diphenylpropan-2-yl)formamide
- English name
- N-(1-Benzyl-2-phenylethyl)formamide
- Molecular formula
- C16H17NO
- Molecular weight
- 239.31
Names & synonyms
N-(1,3-diphenylpropan-2-yl)formamide788-09-0CHEMBL4764428NSC12926Cambridge id 5102186Oprea1_326211CBDivE_0019101-benzyl-2-phenylethylformamideSCHEMBL29257172DTXSID70279504N-(alpha-Benzylphenethyl)formamideBDBM50551698
Show more names
N-(1-Benzyl-2-phenylethyl)formamideFormamide, N-[2-phenyl-1-(phenylmethyl)ethyl]-
NSC-12926AKOS016031667SR-01000195113SR-01000195113-1
Database identifiers
- CAS
788-09-0- PubChem CID
- 224461
- DTXSID
DTXSID70279504- ChEMBL
CHEMBL4764428
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Melting point
- 92 · 92-93 °C
- Boiling point
- 445.6 · 445.6±34.0 °C(Predicted)
- Density
- 1.075 · 1.075±0.06 g/cm3(Predicted)
- pka
- 15.98 · 15.98±0.23(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400-H317-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P273-P391-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H400-H317-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P273-P391-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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