Basic information
- CAS
42060-21-9- Standard SMILES
CCN(CC)CCCC(=O)O- InChIKey
XUDAWBWSOYRMRW-UHFFFAOYSA-N- Molecular formula
- C8H17NO2
- Average molar mass
- 159.23 g/mol
- Monoisotopic mass
- 159.12592879
Names & identifiers
- Preferred name
- Butyric acid, 4-(diethylamino)-
- IUPAC
- 4-(diethylamino)butanoic acid
- English name
- 4-(Diethylamino)butyric acid
- Molecular formula
- C8H17NO2
- Molecular weight
- 159.23
Names & synonyms
63867-13-0BUTYRIC ACID, 4-(DIETHYLAMINO)-gamma-Diethylaminobutyric acidDF 472DTXSID00213299RefChem:331306DTXCID501357904-(diethylamino)butanoic acid4-(diethylamino) butyric acid4-(N,N'-Diethylamino)butanoic acid4-diethylaminobutanoic acid4-(diethylamino)butyric acid
Show more names
130929DF-4724-(N,N-diethylamino)butanoicaciButanoic acid, 4-(diethylamino)-
4-(N,N-diethylamino)butanoic aciddiethylaminoethylacetic acidSCHEMBL149151XUDAWBWSOYRMRW-UHFFFAOYSA-NNSC359856SBB077243NSC-359856DB-315872
Database identifiers
- CAS
42060-21-9、63867-13-0- PubChem CID
- 44844
- DTXSID
DTXSID00213299- Nikkaji
- J65.880D
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 111
Physicochemical properties
- Melting point
- 166 °C · 166 °C
- Boiling point
- 255.1 · 255.1±23.0 °C(Predicted)
- Density
- 0.98 · 0.980±0.06 g/cm3(Predicted)
- pka
- 4.42 · 4.42±0.10(Predicted)
Chemistry & industry
Suppliers18 total
湖北万得化工有限公司15377098680 15377098680 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
上海予君生物科技发展有限公司[email protected]
无锡捷化医药科技有限公司0510-83588313-811 18800520310 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
苏州格瑞特医药技术有限公司0512-62384765 13701544574 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
Related reactions
6 records
Compound notes
Loading…