N-(5-Bromo-3-methylpyridin-2-yl)-N,2,2-trimethylpropanamide
Basic information
- CAS
245765-92-8- Standard SMILES
Cc1cc(Br)cnc1N(C)C(=O)C(C)(C)C- InChIKey
MKBZSCNCWLNWFH-UHFFFAOYSA-N- Molecular formula
- C12H17BrN2O
- Average molar mass
- 285.18 g/mol
- Monoisotopic mass
- 284.05243
Names & identifiers
- Preferred name
- N-(5-Bromo-3-methylpyridin-2-yl)-N,2,2-trimethylpropanamide
- IUPAC
- N-(5-bromo-3-methyl-2-pyridinyl)-N,2,2-trimethylpropanamide
- English name
- N-(5-Bromo-3-methylpyridin-2-yl)-N-methyl-2,2-dimethylpropanamide
- Molecular formula
- C12H17BrN2O
- Molecular weight
- 285.18
Names & synonyms
245765-92-8N-(5-bromo-3-methylpyridin-2-yl)-N,2,2-trimethylpropanamideDTXSID80592852RefChem:362330DTXCID70543616N-(5-Bromo-3-methylpyridin-2-yl)-N-methylpivalamide5-BROMO-3-METHYL-2-(METHYL-PIVALOYLAMINO)PYRIDINEMFCD09037448Propanamide, N-(5-bromo-3-methyl-2-pyridinyl)-N,2,2-trimethyl-5-Bromo-3-methyl-2-(N,2,2,2-tetramethylacetamido)pyridineSCHEMBL5733558AKOS015991283
Show more names
5-Bromo-3-methyl-2-(N,2,2,2-tetramethylacetamido)pyridine, 95%N-(5-Bromo-3-methylpyridin-2-yl)-N-methyl-2,2-dimethylpropanamide
BS-2046CS-0450000G86264N-(5-bromo-3-methyl-2-pyridyl)-N,2,2-trimethyl-propanamide
Database identifiers
- CAS
245765-92-8- PubChem CID
- 18329348
- DTXSID
DTXSID80592852- EC Number
- 681-877-2
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 33.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Boiling point
- 369.7 · 369.7±42.0 °C(Predicted)
- Density
- 1.318 · 1.318±0.06 g/cm3(Predicted)
- pka
- 2.89 · 2.89±0.10(Predicted)
- form
- solid
- Sensitive
- Light Sensitive
- InChI
- 1S/C12H17BrN2O/c1-8-6-9(13)7-14-10(8)15(5)11(16)12(2,3)4/h6-7H,1-5H3
- InChIKey
- MKBZSCNCWLNWFH-UHFFFAOYSA-N
- SMILES
- CC1=CC(Br)=CN=C1N(C(C(C)(C)C)=O)C
- UNSPSC Code
- 12352111 · 12352111
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- WGK Germany
- 3 · WGK 3
- HS Code
- 2933399990 · 2933399990
- Storage Class
- 11 · 11 - Combustible Solids
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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- wgk
- WGK 3
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2Skin Sens. 1
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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Related reactions
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Compound notes
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