2-chloro-N-(3-methyl-1-phenylbutyl)acetamide
Basic information
- CAS
852400-04-5- Standard SMILES
CC(C)CC(NC(=O)CCl)c1ccccc1- InChIKey
BREYCRYNLNAGQS-UHFFFAOYSA-N- Molecular formula
- C13H18ClNO
- Average molar mass
- 239.74 g/mol
- Monoisotopic mass
- 239.1076919
Names & identifiers
- Preferred name
- 2-chloro-N-(3-methyl-1-phenylbutyl)acetamide
- IUPAC
- 2-chloro-N-(3-methyl-1-phenylbutyl)acetamide
Names & synonyms
2-chloro-N-(3-methyl-1-phenylbutyl)acetamide852400-04-5MLS000417172CHEMBL1421056HMS2582C23CJB40004AKOS008987550SMR000264350EN300-12647G38745SR-01000065966SR-01000065966-1
Show more names
Z85923429
Database identifiers
- CAS
852400-04-5- PubChem CID
- 4962018
- ChEMBL
CHEMBL1421056- EC Number
- 127-419-2
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 212
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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%)
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Related reactions
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Compound notes
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