Basic information
- CAS
19797-08-1- Standard SMILES
CCN1CCCCCC1=O- InChIKey
GWCFTYITFDWLAY-UHFFFAOYSA-N- Molecular formula
- C8H15NO
- Average molar mass
- 141.21 g/mol
- Monoisotopic mass
- 141.1153641
Names & identifiers
- Preferred name
- 1-Ethylazepan-2-one
- IUPAC
- 1-ethylazepan-2-one
- English name
- 1-Ethylhexahydro-2H-azepine-2-one
- Molecular formula
- C8H15NO
- Molecular weight
- 141.21
Names & synonyms
1-ethylazepan-2-oneRefChem:432617606-384-119797-08-1N-Ethyl-epsilon-caprolactam1-Ethylhexahydro-2H-azepine-2-onen-ethylcaprolactamHexahydro-1-ethyl-2H-azepin-2-one2H-AZEPIN-2-ONE, HEXAHYDRO-1-ETHYL-2H-Azepin-2-one, 1-ethylhexahydro-MFCD01665317BRN 0111499
Show more names
N-Ethyl-ε-caprolactam
N-ethylazepan-2-one5-21-06-00452 (Beilstein Handbook Reference)SCHEMBL459831CHEMBL273865SCHEMBL2535370SCHEMBL14940922DTXSID00173506NS00026438
Database identifiers
- CAS
19797-08-1- PubChem CID
- 29779
- DTXSID
DTXSID00173506- ChEMBL
CHEMBL273865- EC Number
- 606-384-1
- Nikkaji
- J62.377F
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
Experimental & physicochemical properties
LogP0.65
Physicochemical properties
- Boiling point
- 244 ℃ · 244℃ at 99.83kPa
- Density
- 0.987 at · 0.987 at 20℃
- vapor pressure
- 5.2 · 5.2-8.8Pa at 20-25℃
- storage temp.
- Store at room temperature
- form
- Liquid
- Appearance
- Colorless to light yellow Liquid
- LogP
- 0.6 at · 0.6 at 20℃ and pH7.2
- Surface tension
- 68.3 mN/m · 68.3mN/m at 1g/L and 20℃
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H302-H332
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
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+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 1-ethylazepan-2-one (EC: 606-384-1)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H302-H332
- REACH Registrations
- Active
- Precautionary statements
- P280-P305+P351+P338-P310-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers9 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
武汉卡米克科技有限公司18162538168 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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