N-(6-chloropyrimidin-4-yl)acetamide
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Basic information
- CAS
89379-94-2- Standard SMILES
CC(=O)Nc1cc(Cl)ncn1- InChIKey
JOHWCLWPKKPZRF-UHFFFAOYSA-N- Molecular formula
- C6H6ClN3O
- Average molar mass
- 171.58 g/mol
- Monoisotopic mass
- 171.0199395
Names & identifiers
- Preferred name
- N-(6-chloropyrimidin-4-yl)acetamide
- IUPAC
- N-(6-chloropyrimidin-4-yl)acetamide
- English name
- N-(6-ChloropyriMidin-4-yl)acetaMide
- Molecular formula
- C6H6ClN3O
- Molecular weight
- 171.58
Names & synonyms
N-(6-chloropyrimidin-4-yl)acetamide89379-94-2MFCD20229739Acetamide, N-(6-chloro-4-pyrimidinyl)-N-(6-Chloro-4-pyrimidinyl)acetamideN-(6-chloro-pyrimidin-4-yl)acetamideSCHEMBL273213N-(6-Chloro-4-pyrimidinyl)-acetamideSB56592N-(6-chloro-pyrimidin-4-yl)-acetamideBS-33053DB-308706
Show more names
CS-0100029
Database identifiers
- CAS
89379-94-2- PubChem CID
- 539477
- Nikkaji
- J1.394.469E
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 54.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Boiling point
- 388.3 · 388.3±27.0 °C(Predicted)
- Density
- 1.419 · 1.419±0.06 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 11.92 · 11.92±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-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
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
3 records
Compound notes
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