Basic information
- CAS
14205-42-6- Standard SMILES
CCOC(=O)C=C(C)N(C)C- InChIKey
CTKXXMXGFDQHTI-UHFFFAOYSA-N- Molecular formula
- C8H15NO2
- Average molar mass
- 157.21 g/mol
- Monoisotopic mass
- 157.11027872
Names & identifiers
- Preferred name
- Nifedipine Impurity N1
- IUPAC
- ethyl 3-(dimethylamino)but-2-enoate
- English name
- ethyl 3-(dimethylamino)-2-butenoate
- Molecular formula
- C8H15NO2
- Molecular weight
- 157.21
Names & synonyms
Nifedipine Impurity N1SCHEMBL11720034DTXSID60931326DB-230383NS00051531Einecs 238-058-6Nifedipine Impurity 24ETHYL 3-(DIMETHYLAMINO)-CROTONATEethyl 3-(dimethylamino)-2-butenoate3-Dimethylamino-2-butenoic acid ethyl ester3-(Dimethylamino)-2-butenoic acid ethyl ester2-Butenoic acid, 3-(dimethylamino)-, ethyl ester
Show more names
ethyl ( E ) -3- ( dimethylamino ) but - 2 - enoate
Database identifiers
- CAS
14205-42-6- PubChem CID
- 84255
- DTXSID
DTXSID60931326
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers7 total
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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