Basic information
- CAS
21608-06-0- Standard SMILES
CCN(CCC(=O)OC)c1ccccc1- InChIKey
AGKYCLGMYBHGSV-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592878
Names & identifiers
- Preferred name
- beta-Alanine, N-ethyl-N-phenyl-, methyl ester
- IUPAC
- methyl 3-(N-ethylanilino)propanoate
- English name
- N-Ethyl-N-methoxycarbonylethyl aniline
- Molecular formula
- C12H17NO2
- Molecular weight
- 207.27
Names & synonyms
21608-06-0beta-Alanine, N-ethyl-N-phenyl-, methyl esterEINECS 244-471-2DTXSID3066716.beta.-Alanine, N-ethyl-N-phenyl-, methyl esterRefChem:567218DTXCID4036516N-Ethyl-N-methoxycarbonylethyl anilineN-Ethyl-N-methoxy carbonyl ethyl anilinemethyl 3-(N-ethylanilino)propanoateMethyl N-ethyl-N-phenyl-beta-alaninateMFCD00482437
Show more names
Methyl N-ethyl-N-phenyl-β-alaninateN-EGHYL-N-METHOXYCARBONYLETHYL ANILINEN-Phenyl-N-ethyl-β-alanine methyl esterN-ETHYL-N-2-METHOXYCARBONYL) ETHYLANILINEn-ethyl-n-phenyl-beta-alanin methyl ester
Methyl 3-(ethyl(phenyl)amino)propanoateSCHEMBL7038319SCHEMBL11315216AGKYCLGMYBHGSV-UHFFFAOYSA-NAKOS009252202SB77865AS-11896NS00026913
Database identifiers
- CAS
21608-06-0- PubChem CID
- 88966
- DTXSID
DTXSID3066716
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Boiling point
- 122 · 122-126 °C(Press: 3 Torr)
- Density
- 1.052 · 1.052±0.06 g/cm3(Predicted)
- pka
- 5.89 · 5.89±0.50(Predicted)
- CAS DataBase Reference
- 21608 · 21608-06-0(CAS DataBase Reference)
- EPA Substance Registry System
- .beta.-Alanine, N-ethyl-N-phenyl-, methyl ester (21608-06-0)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information.beta.-Alanine, N-ethyl-N-phenyl-, methyl ester: ACTIVE
Upstream & downstream products
Downstream products
Suppliers9 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
太原市瑞和丰科贸有限公司+86 351 7031519 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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