N-Benzylglycine ethyl ester
Completing data — refresh the page later to see the latest
Basic information
- CAS
6436-90-4- Standard SMILES
CCOC(=O)CNCc1ccccc1- InChIKey
ULOLIZHBYWAICY-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Names & identifiers
- Preferred name
- N-Benzylglycine ethyl ester
- IUPAC
- ethyl 2-(benzylamino)acetate
- English name
- N-Benzylglycine ethyl ester
- Molecular formula
- C11H15NO2
- Molecular weight
- 193.24
Names & synonyms
N-Benzylglycine ethyl ester6436-90-4Ethyl N-(phenylmethyl)glycinateDTXSID90214578RefChem:1091619DTXCID20137069229-218-6ethyl 2-(benzylamino)acetateEthyl (benzylamino)acetateBzl-Gly-OEtGlycine, N-(phenylmethyl)-, ethyl estern-benzyl glycine ethyl ester
Show more names
AKOS 229C11H15NO2N-BZL-GLY-OETN-Bzl-Gly-Oet-OHTIMTEC-BB SBB003613Ethyl N-benzylglycine
MFCD00009174Ethyl N-benzylglycinateEthyl benzylaminoacetatebenzylamino-acetic acid ethyl esterethyl 2-[benzylamino]acetateethyl benzylglycinateN-Benzyl-glycine ethyl estern-(phenylmethyl)glycine ethyl ester
Database identifiers
- CAS
6436-90-4- PubChem CID
- 80908
- DTXSID
DTXSID90214578- UNII
- F78Q9SH2Z3
- EC Number
- 229-218-6
- Nikkaji
- J62.853K
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 165
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials PropertiesOptical coefficient
Physical DescriptionColorless or yellow liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Boiling point
- 140 · 140-142 °C/10 mmHg (lit.)
- Density
- 1.031 g/mL · 1.031 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.506(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- pka
- 6.84 · 6.84±0.20(Predicted)
- color
- Clear colorless to light yellow
- Water Solubility
- Not miscible or difficult to mix in water.
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- wgk
- 3
- ridadr
- UN2735
- hs_code
- 29224999
- risk_code
- 34-36/37/38-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xi,Xn
- safety_code
- 23-24/25-45-36/37/39-26-36
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Applications
UsesN-Benzylglycine ethyl ester is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff field.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
100 records
Compound notes
Loading…