Basic information
- CAS
626-97-1- Standard SMILES
CCCCC(N)=O- InChIKey
IPWFJLQDVFKJDU-UHFFFAOYSA-N- Molecular formula
- C5H11NO
- Average molar mass
- 101.15 g/mol
- Monoisotopic mass
- 101.08406397
Overview
Pentanamide is a monocarboxylic acid amide obtained by the formal condensation of valeric acid with ammonia. It is functionally related to a valeric acid.
Names & identifiers
- Preferred name
- Pentanamide
- IUPAC
- pentanamide
- English name
- Pentanamide
- Molecular formula
- C5H11NO
- Molecular weight
- 101.15
Names & synonyms
PentanamideValeramide626-97-1N-VALERAMIDEPentanimidic acidTKL9TN43QKNSC-400223DTXSID3060827CHEBI:16459RefChem:901571DTXCID5043425210-974-0
Show more names
pentylamideZV4PentamideVALOYLAMINEn-PentanamideValeramide,97%
Valeric acid amideMFCD00041895Pentanamide (Valeramide)n-valeric amideUNII-TKL9TN43QKValproic Acid EP Impurity EN-PentanamidPentanamide; Valproic Acid Imp. E (EP); Valeramide; Valproic Acid Impurity E
Database identifiers
- CAS
626-97-1- PubChem CID
- 12298
- DTXSID
DTXSID3060827- ChEBI
CHEBI:16459- UNII
- TKL9TN43QK
- EC Number
- 210-974-0
- Nikkaji
- J44.090F
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 61.1
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty amides [FA08] -> Primary amides [FA0801]
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 101 · 101-106 °C
- Boiling point
- 189.55 °C · 189.55°C (rough estimate)
- Density
- 0.8735 · 0.8735
- refractive index
- 1.4183 · 1.4183
- storage temp.
- Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Shiny Powder or Flakes
- pka
- 16.68 · 16.68±0.40(Predicted)
- color
- White
- Water Solubility
- Soluble in water (almost transparency).
- BRN
- 1740792 · 1740792
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (50%): 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)
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
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- hs_code
- 29241900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319-H302-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPentanamide: INACTIVE
Applications
UsesValeramide is an inhibitor of human microsomal epoxide hydrolase. Valeramide is also used in the EEG recordings of valerian-related drugs.
Upstream & downstream products
Downstream products
Suppliers98 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
Related reactions
9 records
Compound notes
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