N-tert-butyl-3-chloropropanamide
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Basic information
- CAS
100859-81-2- Standard SMILES
CC(C)(C)NC(=O)CCCl- InChIKey
KZXIRPZPFZEMJA-UHFFFAOYSA-N- Molecular formula
- C7H14ClNO
- Average molar mass
- 163.64 g/mol
- Monoisotopic mass
- 163.0763918
Names & identifiers
- Preferred name
- N-tert-butyl-3-chloropropanamide
- IUPAC
- N-tert-butyl-3-chloropropanamide
- English name
- N-(tert-butyl)-3-chloropropanamide
- Molecular formula
- C7H14ClNO
- Molecular weight
- 163.65
Names & synonyms
100859-81-2N-tert-butyl-3-chloropropanamideDTXSID50324061RefChem:364955DTXCID80275178N-(TERT-BUTYL)-3-CHLOROPROPANAMIDEPropanamide, 3-chloro-N-(1,1-dimethylethyl)-MFCD01353566NSC405612SCHEMBL3318249SCHEMBL11600492KZXIRPZPFZEMJA-UHFFFAOYSA-N
Show more names
UKRORGSYN-BB BBV-026826N-(tert-butyl)-3-chloropropanamide(SALTDATA: FREE)
N-tert-butyl-3-chloro-propanamideALBB-011969STL508885AKOS000144563NSC-405612VS-13994CS-0321565H29809
Database identifiers
- CAS
100859-81-2- PubChem CID
- 347117
- DTXSID
DTXSID50324061- Nikkaji
- J856.923A
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 117
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
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_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
2 records
Compound notes
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