2,2-Diphenylglycine
Basic information
- CAS
3060-50-2- Standard SMILES
NC(C(=O)O)(c1ccccc1)c1ccccc1- InChIKey
YBONNYNNFBAKLI-UHFFFAOYSA-N- Molecular formula
- C14H13NO2
- Average molar mass
- 227.26 g/mol
- Monoisotopic mass
- 227.09462866
Overview
structure in first source
Names & identifiers
- Preferred name
- 2,2-Diphenylglycine
- IUPAC
- 2-amino-2,2-diphenylacetic acid
- English name
- 2,2-Diphenylglycine
- Molecular formula
- C14H13NO2
- Molecular weight
- 227.26
Names & synonyms
2,2-Diphenylglycine3060-50-2alpha,alpha-Diphenylglycinealpha-Aminodiphenylacetic acidBenzeneacetic acid, alpha-amino-alpha-phenyl-NSC-33392634Y52030LDTXSID20184674RefChem:81120DTXCID60107165221-299-62-amino-2,2-diphenylacetic acid
Show more names
NSC 33392DIPHENYLGLYCINA,A-DIPHENYLGLYCINE2,2-diphenyl-glycinPhenytoin IMpurity CPhenytoin Impurity 6LABOTEST-BB LT00159592AMINODIPHENYLACETIC ACID
MFCD00008048GLYCINE, 2,2-DIPHENYL-.alpha.-Aminodiphenylacetic acid.alpha.,.alpha.-DiphenylglycinePhenytoin EP Impurity CAmino(diphenyl)acetic acidPhenytoin Sodium EP Impurity Calpha-Amino-alpha-phenylbenzeneacetic acid
Database identifiers
- CAS
3060-50-2- PubChem CID
- 18289
- DTXSID
DTXSID20184674- ChEMBL
CHEMBL3544524- UNII
- 634Y52030L
- EC Number
- 221-299-6
- Nikkaji
- J75.718G
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Melting point
- 245 · 245-247 °C (dec.) (lit.)
- Boiling point
- 368.97 °C · 368.97°C (rough estimate)
- Density
- 1.231 · 1.231±0.06 g/cm3 (20 ºC 760 Torr)
- refractive index
- 1.578 · 1.5780 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly, Heated), Methanol (Slightly, Heated)
- pka
- 1.38 · 1.38±0.10(Predicted)
- form
- Powder
- color
- White
- Water Solubility
- It is sparingly soluble in water.
- Stability
- Hygroscopic
- Major Application
- peptide synthesis
- InChI
- InChI=1S/C14H13NO2/c15-14(13(16)17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,15H2,(H,16,17)
- InChIKey
- YBONNYNNFBAKLI-UHFFFAOYSA-N
- SMILES
- C(N)(C(=O)O)(C1C=CC=CC=1)C1C=CC=CC=1
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
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
Safety data
- wgk
- 3
- rtecs
- MC0176000
- hs_code
- 29224999
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Description2, 2-Diphenylglycine is a highly similar analogue and the simplest aromatic peptide. It can be used as a synthesis reagent for amination reactions. It is a useful intermediate in pharmaceutical and in organic synthesis. Its derivatives have been also be shown to exhibit anticonvulsants activity and can be used for the treatment of pain.
Uses2,2-Diphenylglycine is used as a synthesis reagent for amination reactions. It acts as an intermediate in pharmaceutical and in organic synthesis.
Upstream & downstream products
Downstream products
Related reactions
3 records
Compound notes
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