2'-Benzyl-2,2-dimethylpropionanilide
Basic information
- CAS
85864-33-1- Standard SMILES
CC(C)(C)C(=O)Nc1ccccc1Cc1ccccc1- InChIKey
BDYMLDYIYIGVCY-UHFFFAOYSA-N- Molecular formula
- C18H21NO
- Average molar mass
- 267.4 g/mol
- Monoisotopic mass
- 267.16231429
Names & identifiers
- Preferred name
- 2'-Benzyl-2,2-dimethylpropionanilide
- IUPAC
- N-(2-benzylphenyl)-2,2-dimethylpropanamide
- English name
- 2'-Benzyl-2,2-dimethylpropionanilide
- Molecular formula
- C18H21NO
- Molecular weight
- 267.37
Names & synonyms
85864-33-12'-Benzyl-2,2-dimethylpropionanilideDTXSID40352914RefChem:241116DTXCID10303978623-321-3N-(2-Benzylphenyl)pivalamideN-(2-benzylphenyl)-2,2-dimethylpropanamideN-Pivaloyl-o-benzylanilineMFCD00075427Maybridge4_002059N-Pivaloyl-o-benzylanilin
Show more names
N-Pivaloyl-o-benzylaniline,99%phenyl(2-pivaloylamidophenyl)methane2'-dimethyl-2,2-dimethylpropionanilide2'-BENZYL-2,2-DIMETHYLPROPIONANILIDE, 99 %2,2-Dimethyl-N-[2-(phenylmethyl)phenyl]propanamide2′-Benzyl-2,2-dimethylpropionanilide, CAS 85864-33-1Propanamide, 2,2-dimethyl-N-[2-(phenylmethyl)phenyl]-
Oprea1_843774SCHEMBL1274654HMS1526N13CCG-42395AKOS001045125NCGC00176965-01AS-596322'-Benzyl-2,2-dimethylpropionanilide, 99%
Database identifiers
- CAS
85864-33-1- PubChem CID
- 736045
- DTXSID
DTXSID40352914- EC Number
- 623-321-3
- Nikkaji
- J2.099.109G
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- Melting point
- 88 · 88-90 °C(lit.)
- Boiling point
- 410.55 °C · 410.55°C (rough estimate)
- Density
- 1.0449 · 1.0449 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
- HS Code
- 29242990 · 29242990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 29242990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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