Ethyl 2-[(1-phenylethyl)amino]acetate
Basic information
- CAS
56720-98-0- Standard SMILES
CCOC(=O)CNC(C)c1ccccc1- InChIKey
NFYBPTIJJCODFR-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- Ethyl 2-[(1-phenylethyl)amino]acetate
- IUPAC
- ethyl 2-(1-phenylethylamino)acetate
- English name
- (+/-) N-Trans[ethoxy carbonmethyl]-1-phenylethylamine
- Molecular formula
- C12H17NO2
- Molecular weight
- 207.27
Names & synonyms
ethyl 2-[(1-phenylethyl)amino]acetate56720-98-0ethyl 2-((1-phenylethyl)amino)acetateRefChem:593542819-317-8ethyl 2-(1-phenylethylamino)acetateETHYL (S)-[(1-PHENYLETHYL)AMINO]ACETATE(+/-) N-TRANS[ETHOXY CARBONMETHYL]-1-PHENYLETHYLAMINESCHEMBL25297216GCA72098ethyl2-[(1-phenylethyl)amino]acetateAKOS000253083
Show more names
Glycine, N-(1-phenylethyl)-, ethyl ester
AKOS017280253EN300-117413
Database identifiers
- CAS
56720-98-0- PubChem CID
- 6917064
- EC Number
- 819-317-8
- Nikkaji
- J1.387.997D
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318-H335-H315
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H302-H318-H335-H315
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesEthyl N-Nitroso-N-(1-phenylethyl)glycinate is a derivative of Ethyl 2-[(1-Phenylethyl)amino]acetate , which is a potential fungicide for the control of Fusarium wilt diseases. Ethyl 2-[(1-Phenylethyl)amino]acetate can also be used in the preparation of phenylacetamide derivatives for the control of Pyricularia oryzae and preparation of nitrofuran derivatives with antibacterial activity.
Related reactions
2 records
Compound notes
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