Basic information
- CAS
1998216-54-8- Standard SMILES
Cl.O=C1CCNCCN1Cc1ccc(F)cc1- InChIKey
YACBYWKHJBMYEO-UHFFFAOYSA-N- Molecular formula
- C12H16ClFN2O
- Average molar mass
- 258.72 g/mol
- Monoisotopic mass
- 258.093519
Names & identifiers
- Preferred name
- 4-(4-Fluorobenzyl)-1,4-diazepan-5-one hydrochloride
- IUPAC
- 4-[(4-fluorophenyl)methyl]-1,4-diazepan-5-one;hydrochloride
- English name
- 4-(4-Fluorobenzyl)-1,4-diazepan-5-one hydrochloride
- Molecular formula
- C12H16ClFN2O
- Molecular weight
- 258.72
Names & synonyms
4-(4-Fluorobenzyl)-1,4-diazepan-5-one hydrochloride1998216-54-84-[(4-fluorophenyl)methyl]-1,4-diazepan-5-one;hydrochloride4-(4-Fluorobenzyl)-[1,4]diazepan-5-one hydrochloride4-[(4-FLUOROPHENYL)METHYL]-1,4-DIAZEPAN-5-ONE HYDROCHLORIDEMFCD304757804-(4-Fluorobenzyl)-1,4-diazepan-5-one HClAKOS030632712DS-19238DB-152667CS-0188219Y11322
Show more names
F5165414-(4-Fluorobenzyl)-1,4-diazepan-5-onehydrochloride
Database identifiers
- CAS
1998216-54-8- PubChem CID
- 122172541
Properties
Computed structural properties
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
- P261-P305+P351+P338
Chemistry & industry
Suppliers10 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
成都海品信医药科技有限公司85114309 18982182443 · [email protected]
台州川旭医药科技有限公司[email protected] 15165038510 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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