Basic information
- CAS
82277-88-1- Standard SMILES
CNC(=O)NC(=O)CCCl- InChIKey
UEIJFSINQCGYHS-UHFFFAOYSA-N- Molecular formula
- C5H9ClN2O2
- Average molar mass
- 164.59 g/mol
- Monoisotopic mass
- 164.0352552
Names & identifiers
- Preferred name
- 3-(3-Chloropropanoyl)-1-methylurea
- IUPAC
- 3-chloro-N-(methylcarbamoyl)propanamide
Names & synonyms
3-(3-chloropropanoyl)-1-methylurea82277-88-1RefChem:491948998-909-93-chloro-N-(methylcarbamoyl)propanamideSCHEMBL11286301AKOS009035688CS-0245060EN300-29872G21561Z108154224
Database identifiers
- CAS
82277-88-1- PubChem CID
- 25504147
- EC Number
- 998-909-9
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 138
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…