Basic information
- CAS
22632-06-0- Standard SMILES
CCCCc1ccc(C(N)=O)nc1- InChIKey
VKSPIPWLHGKJQO-UHFFFAOYSA-N- Molecular formula
- C10H14N2O
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.11061307
Overview
Bupicomide is a phosphoramide and an organothiophosphorus compound.
Names & identifiers
- Preferred name
- Bupicomide
- IUPAC
- 5-butylpyridine-2-carboxamide
- English name
- bupicomide
- Molecular formula
- C10H14N2O
- Molecular weight
- 178.234
Names & synonyms
BUPICOMIDE22632-06-0Bupicomida5-n-ButylpicolinamideSch 10595Sch-10595BupicomidumNSC-3291380X3H76N0HYDTXSID80177168bupicamideRefChem:570495
Show more names
Fusaramide5-Butyl-2-pyridinecarboxamide5-butyl-pyridine-2-carboxylic acid amide
DTXCID0099659245-143-15-butylpyridine-2-carboxamide5-ButylpicolinamidePicolinamide, 5-butyl-2-Pyridinecarboxamide, 5-butyl-NSC329138Bupicomide [USAN:INN]
Database identifiers
- CAS
22632-06-0- PubChem CID
- 31447
- DTXSID
DTXSID80177168- ChEMBL
CHEMBL2106646- ChEBI
CHEBI:144424- UNII
- 0X3H76N0HY
- EC Number
- 245-143-1
- Nikkaji
- J11.489H
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Melting point
- 128 °C · 128 °C
- Boiling point
- 338.6 · 338.6±30.0 °C(Predicted)
- Density
- 1.066 · 1.066±0.06 g/cm3(Predicted)
- pka
- 15.28 · 15.28±0.50(Predicted)
- FDA UNII
- 0 X3H76N0HY · 0X3H76N0HY
- 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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesAntihypertensive.
Upstream & downstream products
Upstream raw materials
Suppliers6 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Additional notes
DefinitionChEBI: Bupicomide is an organothiophosphorus compound and a phosphoramide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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