Basic information
- CAS
793-19-1- Standard SMILES
COC(=O)CCN(CCC(=O)OC)Cc1ccccc1- InChIKey
KPRYGTMLHJYBFC-UHFFFAOYSA-N- Molecular formula
- C15H21NO4
- Average molar mass
- 279.33 g/mol
- Monoisotopic mass
- 279.14705815
Names & identifiers
- Preferred name
- 3-[Benzyl-(2-Methoxycarbonyl-Ethyl)-Amino]-Propionic Acid Methyl Ester
- IUPAC
- methyl 3-[benzyl-(3-methoxy-3-oxopropyl)amino]propanoate
- English name
- 3-[Benzyl-(2-methoxycarbonyl-ethyl)-amino]-propionic acid methyl ester
- Molecular formula
- C15H21NO4
- Molecular weight
- 279.34
Names & synonyms
793-19-1dimethyl 3,3'-(benzylazanediyl)dipropanoate3-[Benzyl-(2-Methoxycarbonyl-Ethyl)-Amino]-Propionic Acid Methyl Estermethyl 3-[benzyl-(3-methoxy-3-oxopropyl)amino]propanoatedimethyl 3,3'-(benzylazanediyl)dipropionateMFCD00025891methyl 3-[benzyl(3-methoxy-3-oxopropyl)amino]propanoateMethyl 3-[benzyl-(3-methoxy-3-oxo-propyl)amino]propanoateMethyl N-benzyl-N-(3-methoxy-3-oxopropyl)-beta-alaninate3-[Benzyl-(2-methoxycarbonylethyl)amino]propionic Acid Methyl Esterdimethyl 3,3' - (benzylazanediyl)dipropanoateN-(3-Methoxy-3-oxopropyl)-N-(phenylmethyl)-beta-alanine Methyl Ester;3,3'-(Benzylimino)dipropionic Acid Dimethyl Ester; Dimethyl 3,3'-(Benzylazanediyl)dipropanoate; N,N-Bis[2-(methoxycarbonyl)ethyl]benzylamine;NSC 54971;
Show more names
N,N-BIS(B-(METHOXYCARBONYL)ETHYL)BENZYLAMINE3,3'-Benzyliminobis(propanoic acid methyl) ester3,3'-(Benzylimino)dipropionic acid dimethyl ester3,3'-(Benzylimino)bispropionic acid dimethyl ester
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Boiling point
- 150 · 150-161 °C(Press: 0.6 Torr)
- Density
- 1.108 · 1.108±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- pka
- 5.79 · 5.79±0.50(Predicted)
- color
- Colourless to Pale Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- REACH Registrations
- Inactive
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
H226 (14.9%): Flammable liquid and vapor [Warning Flammable liquids]
P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P318, P321, P330, P333+P317, P337+P317, P362+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: Methyl N-benzyl-N-(3-methoxy-3-oxopropyl)-β-alaninate (EC: 212-343-5)
Hazard Classes and CategoriesFlam. Liq. 3 (14.9%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- REACH Registrations
- Inactive
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses3-[Benzyl-(2-methoxycarbonylethyl)amino]propionic Acid Methyl Ester is used in preparation of substituted Phenyloxazolidinones as antimicrobial agents for treating antimicrobial.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers23 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
Related reactions
2 records
Compound notes
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