N-Phenylglycine
Basic information
- CAS
103-01-5- Standard SMILES
O=C(O)CNc1ccccc1- InChIKey
NPKSPKHJBVJUKB-UHFFFAOYSA-N- Molecular formula
- C8H9NO2
- Average molar mass
- 151.16 g/mol
- Monoisotopic mass
- 151.06332853
Overview
N-phenylglycine is a glycine carrying an N-phenyl substituent. It has a role as an allergen.
Names & identifiers
- Preferred name
- N-Phenylglycine
- IUPAC
- 2-anilinoacetic acid
- English name
- Anilinoacetic acid
- Molecular formula
- C8H9NO2
- Molecular weight
- 151.16
Names & synonyms
N-Phenylglycine103-01-5Anilinoacetic acidCHEBI:5547737YJW036TPDTXSID2047016RefChem:830994DTXCID0027016203-070-22-(phenylamino)acetic acid2-anilinoacetic acidGlycine, phenyl-
Show more names
PHENYL GLYCINEN-PGCPH-GLY-OHDL-Phg-OHN-Ph-Gly-OHAKOS B003332N-PhenylgcineJACS-103-01-5N-PHENYLGLYCIN
(Phenylamino)acetic acidGlycine, N-phenyl-N-phenyl glycineN-Phenylaminoacetic acidMFCD00014009n-phenyl-glycineBIDD:GT0243AI3-09070
Database identifiers
- CAS
103-01-5- PubChem CID
- 66025
- DTXSID
DTXSID2047016- ChEMBL
CHEMBL3306206- ChEBI
CHEBI:55477- UNII
- 37YJW036TP
- EC Number
- 203-070-2
- Nikkaji
- J9.337H
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 130
Experimental & physicochemical properties
LogP0.62
Collision Cross Section134.6 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0027806]
Physicochemical properties
- Melting point
- 121 · 121-123 °C (lit.)
- Boiling point
- 273.17 °C · 273.17°C (rough estimate)
- Density
- 1.2023 · 1.2023 (rough estimate)
- refractive index
- 1.581 · 1.5810 (estimate)
- storage temp.
- Store at RT.
- solubility
- DMSO (Sparingly), Methanol (Slightly)
- form
- Fine Powder
- pka
- 1.83 · 1.83, 4.39(at 25℃)
- color
- Ochre to yellow-brown
- Water Solubility
- moderately soluble
- Merck
- 14 · 14,7292
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 33.3% (1 of 3) of reports.
Warning
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29224995
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25-44-35-28-7-4
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationGlycine, N-phenyl-: ACTIVE
Applications
UsesN-Phenylglycine is a derivative of Glycine (G615990). N-Phenylglycine is also sometimes coupled with Glycidyl methacrylate to create a surface active comonomer that promotes adhesive bonding of materials to hard tooth tissues.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
53 records
Compound notes
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