Acetamide, N-(phenyl-2,3,4,5,6-d5)-
Basic information
- CAS
15826-91-2- Standard SMILES
[2H]c1c([2H])c([2H])c(NC(C)=O)c([2H])c1[2H]- InChIKey
FZERHIULMFGESH-VIQYUKPQSA-N- Molecular formula
- C8H9NO
- Average molar mass
- 140.19 g/mol
- Monoisotopic mass
- 140.09979764
Names & identifiers
- Preferred name
- Acetamide, N-(phenyl-2,3,4,5,6-d5)-
- IUPAC
- N-(2,3,4,5,6-pentadeuteriophenyl)acetamide
- English name
- ACETANILIDE-2,3,4,5,6-D5
- Molecular formula
- C8H4D5NO
- Molecular weight
- 140.19
Names & synonyms
Acetamide, N-(phenyl-2,3,4,5,6-d5)-Acetamide, N-(phenyl-d5)-EINECS 239-928-8N-(Phenyl-2,3,4,5,6-d5)acetamide2',3',4',5',6'-PentadeuteroacetanilideDTXSID101302810N-[2,3,4,5,6-2H5]phenylacetamideN-(2,3,4,5,6-2H5)PhenylacetamideRefChem:551794DTXCID001732866239-928-815826-91-2
Show more names
NSC 7636-d5Phenalgin-d5Antifebrin-d5NSC 203231-d5Phenalgene-d5D5-AcetanilideAcetoanilide-d5Acetanilide--d5Acetylaniline-d5
N-(2,3,4,5,6-pentadeuteriophenyl)acetamideAcetanilide-d5 (Acetylaniline-d5)N-(phenyl-d5)acetamideACETANILIDE-2',3',4',5',6'-D5acetanilide-d5MFCD00084103SCHEMBL889437N-(~2~H_5_)Phenylacetamide
Database identifiers
- CAS
15826-91-2- PubChem CID
- 85126
- DTXSID
DTXSID101302810- EC Number
- 239-928-8
- Nikkaji
- J248.783G
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Melting point
- 113 · 113-115 °C(lit.)
- Boiling point
- 304 °C · 304 °C(lit.)
- Density
- 1.266 g/mL · 1.266 g/mL at 25 °C
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), Dichloromethane (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Pale Beige to Brown
- InChI
- InChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)/i2D,3D,4D,5D,6D
- InChIKey
- FZERHIULMFGESH-VIQYUKPQSA-N
- SMILES
- C1(NC(=O)C)=C([2H])C(=C([2H])C([2H])=C1[2H])[2H]
- EPA Substance Registry System
- Acetamide, N-(phenyl-d5)- (15826-91-2)
- UNSPSC Code
- 12352202 · 12352202
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H315-H319
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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 22-26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H335-H302-H315-H319
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetamide, N-(phenyl-2,3,4,5,6-d5)-: INACTIVE
Applications
UsesThe first aniline derivative found to possess analgesic and antipyretic properties.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…