Basic information
- CAS
4164-92-5- Standard SMILES
CCCCC(CC)C(N)=O- InChIKey
GMORVOQOIHISPT-UHFFFAOYSA-N- Molecular formula
- C8H17NO
- Average molar mass
- 143.23 g/mol
- Monoisotopic mass
- 143.13101417
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2-Ethylhexanamide
- IUPAC
- 2-ethylhexanamide
- English name
- ethylbutylacetamide
- Molecular formula
- C8H17NO
- Molecular weight
- 143.23
Names & synonyms
2-Ethylhexanamide4164-92-5EthylbutylacetamideDTXSID701316328RefChem:139107DTXCID201746184CHEMBL1081233NSC 22500BRN 1750466HEXANAMIDE, 2-ETHYL-4-02-00-01007 (Beilstein Handbook Reference)SCHEMBL376915
Show more names
ethylhexanamide
SCHEMBL813622SCHEMBL6387531SCHEMBL6424200GMORVOQOIHISPT-UHFFFAOYSA-NEAA16492NSC22500BDBM50340086EBC-06253
Database identifiers
- CAS
4164-92-5- PubChem CID
- 20125
- DTXSID
DTXSID701316328- ChEMBL
CHEMBL1081233- EC Number
- 186-229-8
- Nikkaji
- J1.307.410K
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Melting point
- 102 °C · 102 °C
- Boiling point
- 261.35 °C · 261.35°C (rough estimate)
- Density
- 0.9636 · 0.9636 (rough estimate)
- refractive index
- 1.4614 · 1.4614 (estimate)
- pka
- 16.83 · 16.83±0.50(Predicted)
- Water Solubility
- 4.4 g/L · 4.4g/L(37 ºC)
- 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
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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