Basic information
- CAS
1939-26-0- Standard SMILES
CCCCC(=O)Nc1cccc(C(F)(F)F)c1C- InChIKey
DGYMUJFBJOIXMY-UHFFFAOYSA-N- Molecular formula
- C13H16F3NO
- Average molar mass
- 259.27 g/mol
- Monoisotopic mass
- 259.11839862
Names & identifiers
- Preferred name
- Nonadecanone
- IUPAC
- N-[2-methyl-3-(trifluoromethyl)phenyl]pentanamide
- English name
- 3'-Trifluoromethyl-2-methylvaleranilide
- Molecular formula
- C13H16F3NO
- Molecular weight
- 259.27
Names & synonyms
NonadecanoneN-[2-methyl-3-(trifluoromethyl)phenyl]pentanamideSCHEMBL19638003DTXSID90941074DGYMUJFBJOIXMY-UHFFFAOYSA-N3'-Trifluoromethyl-1,2-methylvaleranilide3/'-TRIFLUOROMETHYL-2-METHYLVALERANILIDEPentanamide, N-(2-methyl-3-trifluoromethyl)phenyl-N-[2-Methyl-3-(trifluoromethyl)phenyl]pentanimidic acidSKL794TIMTEC-BB SBB0081003'-Trifluoromethyl-2-methylvaleranilide
Show more names
3'-(Trifluoromethyl)-2-methylpentanoicanilidePentanamide, n-(2-methyl-3-trifluoromethyl)phenylPentanamide, 2-methyl-N-[3-(trifluoromethyl)phenyl]-(2S)-2-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide3′-(Trifluoromethyl)-2-methylpentanoic anilide, CAS 1939-26-0
Database identifiers
- CAS
1939-26-0- PubChem CID
- 137263
- DTXSID
DTXSID90941074
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- Melting point
- 71 · 71-72 °C
- Boiling point
- 343.2 · 343.2±42.0 °C(Predicted)
- Density
- 1.165 · 1.165±0.06 g/cm3(Predicted)
- pka
- 14.23 · 14.23±0.70(Predicted)
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2924297099 · 2924297099
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
- hs_code
- 2924297099
- hazard_code
- Xi
- hazard_note
- Irritant
Chemistry & industry
Suppliers7 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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