Basic information
- CAS
795-18-6- Standard SMILES
CCOC(=O)CCN(CC(=O)OCC)Cc1ccccc1- InChIKey
JWYHGTSTWMQTHS-UHFFFAOYSA-N- Molecular formula
- C16H23NO4
- Average molar mass
- 293.36 g/mol
- Monoisotopic mass
- 293.16270821
Names & identifiers
- Preferred name
- Ethyl N-(2-ethoxy-2-oxoethyl)-N-(phenylmethyl)-beta-alaninate
- IUPAC
- ethyl 3-[benzyl-(2-ethoxy-2-oxoethyl)amino]propanoate
- English name
- ethyl N-(2-ethoxy-2-oxoethyl)-N-(phenylmethyl)-beta-alaninate
- Molecular formula
- C16H23NO4
- Molecular weight
- 293.36
Names & synonyms
795-18-6Ethyl 3-(benzyl(2-ethoxy-2-oxoethyl)amino)propanoateEthyl N-(2-ethoxy-2-oxoethyl)-N-(phenylmethyl)-beta-alaninate3-(BENZYL-ETHOXYCARBONYLMETHYL-AMINO)-PROPIONIC ACID ETHYL ESTERMFCD09833363ETHYL 3-[BENZYL(2-ETHOXY-2-OXOETHYL)AMINO]PROPANOATEethyl 3-[benzyl-(2-ethoxy-2-oxoethyl)amino]propanoateNSC87604EINECS 212-346-1ethyl 3-[N-benzyl-N-(ethoxycarbonylmethyl)amino]propionateSCHEMBL4321470DTXSID80229717
Show more names
N-(2-Ethoxy-2-oxoethyl)-N-benzyl-b-alanine ethyl esterN-(2-Ethoxy-2-oxoethyl)-N-phenylmethyl-β-alanine ethyl esterB-ALANINE,N-(2-ETHOXY-2-OXOETHYL)-N-(PHENYLMETHYL)-, ETHYL ESTERβ-Alanine, N-(2-ethoxy-2-oxoethyl)-N-(phenylmethyl)-, ethyl ester
JWYHGTSTWMQTHS-UHFFFAOYSA-NNSC 87604NSC-87604AKOS027255019AS-71208SY126084CS-0037563NS00038043
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Boiling point
- 135 °C · 135 °C
- Density
- 1.092 · 1.092±0.06 g/cm3(Predicted)
- pka
- 5.5 · 5.50±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers30 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
天津林宸科技有限公司15122256084 15122256084 · [email protected]
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Related reactions
3 records
Compound notes
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