Basic information
- CAS
151675-59-1- Standard SMILES
CN(C)C(=O)CCCC(=O)O- InChIKey
IFPUIUKCHWNXJK-UHFFFAOYSA-N- Molecular formula
- C7H13NO3
- Average molar mass
- 159.18 g/mol
- Monoisotopic mass
- 159.08954328
Names & identifiers
- Preferred name
- 4-(Dimethylcarbamoyl)butanoic acid
- IUPAC
- 5-(dimethylamino)-5-oxopentanoic acid
- English name
- 5-(Dimethylamino)-5-oxopentanoic acid
- Molecular formula
- C7H13NO3
- Molecular weight
- 159.18
Names & synonyms
4-(dimethylcarbamoyl)butanoic acidRefChem:516002846-881-25-(dimethylamino)-5-oxopentanoic acid151675-59-1Pentanoic acid, 5-(dimethylamino)-5-oxo-MFCD11188290SCHEMBL66888894-dimethylcarbamoyl-butyric acidDTXSID20617437IFPUIUKCHWNXJK-UHFFFAOYSA-NALBB-033304
Show more names
BGA67559SBB0873575-(dimethylamino)-5-oxopentanoicacidAKOS0050738864-(N,N-dimethylcarbamoyl)butanoic acidSS-39415-(dimethylamino)-5-oxo-pentanoic acidDA-09975
Database identifiers
- CAS
151675-59-1- PubChem CID
- 21728907
- DTXSID
DTXSID20617437- EC Number
- 846-881-2
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- HazardClass
- IRRITANT
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)
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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses5-(Dimethylamino)-5-oxopentanoic Acid acts as a reagent in the synthesis of leukotriene B4 analogs for improved receptor binding activity.
Suppliers5 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
1 records
Compound notes
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