beta-Caprolactam
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Basic information
- CAS
22937-03-7- Standard SMILES
CCCC1CC(=O)N1- InChIKey
QPJCYJIZFCJYIR-UHFFFAOYSA-N- Molecular formula
- C6H11NO
- Average molar mass
- 113.16 g/mol
- Monoisotopic mass
- 113.08406397
Names & identifiers
- Preferred name
- beta-Caprolactam
- IUPAC
- 4-propylazetidin-2-one
- English name
- 4-Propyl-2-azetidinone
- Molecular formula
- C6H11NO
- Molecular weight
- 113.16
Names & synonyms
22937-03-72-Azetidinone, 4-propyl-beta-CaprolactamRefChem:1192204-propylazetidin-2-one4-Propyl-2-azetidinoneMFCD06217523(4R)-4-propylazetidin-2-one(4S)-4-propylazetidin-2-one(+/-)-4-propylazetidin-2-onecis-3-propyl-beta-lactamSCHEMBL1114540
Show more names
SCHEMBL10848883DTXSID909456184-Propyl-3,4-dihydroazet-2-ol1315051-99-0AKOS006293585CS-0225863EN300-1251047Z1198168176
Database identifiers
- CAS
22937-03-7- PubChem CID
- 168076
- DTXSID
DTXSID90945618- EC Number
- 107-776-0
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Boiling point
- 247.4 · 247.4±9.0 °C(Predicted)
- Density
- 0.962 · 0.962±0.06 g/cm3(Predicted)
- pka
- 15.92 · 15.92±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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