1-Methyl-1,4-diazepan-2-one hydrochloride
Basic information
- CAS
685859-01-2- Standard SMILES
CN1CCCNCC1=O.Cl- InChIKey
FTNDDOQJRISISV-UHFFFAOYSA-N- Molecular formula
- C6H13ClN2O
- Average molar mass
- 164.63 g/mol
- Monoisotopic mass
- 164.0716407
Names & identifiers
- Preferred name
- 1-Methyl-1,4-diazepan-2-one hydrochloride
- IUPAC
- 1-methyl-1,4-diazepan-2-one;hydrochloride
- English name
- 1-Methyl-1,4-diazepan-2-one hydrochloride
- Molecular formula
- C6H13ClN2O
- Molecular weight
- 164.63322
Names & synonyms
1-methyl-1,4-diazepan-2-one hydrochloride685859-01-21-Methyl-1,4-diazepan-2-one HClMFCD194439621-methyl-1,4-diazepan-2-one;hydrochloridehexahydro-1-methyl-2H-1,4-diazepin-2-one hydrochloride1-methyl-2-oxo[1,4]diazepane hydrochloride2H-1,4-Diazepin-2-one, hexahydro-1-methyl-, hydrochloride (1:1)1-Methyl-1,4-dia1-Methyl-1,4-diazepan-2-onehydrochlorideSCHEMBL4926922DTXSID20620860
Show more names
2H-1,4-Diazepin-2-one, hexahydro-1-methyl-, HClHexahydro-1-Methyl-2H-1,4-Diazepin-2-one hydrochloride (1:1)
FTNDDOQJRISISV-UHFFFAOYSA-NKCB85901AKOS015949297SB11654AS-33992SY032800DB-0740441-methyl-2-oxo[1.4]diazepane hydrochloride
Database identifiers
- CAS
685859-01-2- PubChem CID
- 21962093
- DTXSID
DTXSID20620860
Properties
Computed structural properties
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- storage temp.
- Inert atmosphere,Room Temperature
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
1 records
Compound notes
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