Basic information
- 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
- BRN
- 509838 · 509838
- Major Application
- peptide synthesis
- InChI
- 1S/C8H9NO2/c10-8(11)6-9-7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)
- InChIKey
- NPKSPKHJBVJUKB-UHFFFAOYSA-N
- SMILES
- OC(=O)CNc1ccccc1
- CAS DataBase Reference
- 103 · 103-01-5(CAS DataBase Reference)
- FDA UNII
- 37 YJW036TP · 37YJW036TP
- NIST Chemistry Reference
- N-Phenylglycine(103-01-5)
- EPA Substance Registry System
- Glycine, N-phenyl- (103-01-5)
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 22 · 22-24/25-44-35-28-7-4
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- HS Code
- 29224995 · 29224995
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
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
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
Syntechem Co.,Ltd[email protected]
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阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
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四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
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TCI AMERICA800-4238616 · [email protected]
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TCI Europe320-37350700 · [email protected]
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Cato Research Chemicals Inc.020-81960175 · [email protected]
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上海将来实业股份有限公司021-61552785 · [email protected]
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湖南华腾制药有限公司400-8592883 · [email protected]
广州市广传电子材料有限公司020-34886591 020-34886592 · [email protected]
上海有朋化工有限公司021-69005955 13701776567 · [email protected]
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江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海凯赛化工有限公司021-33516722 13701817765 · [email protected]
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成都润泽本土化工有限公司13096311329 028-88469284 616445927 · [email protected]
上海蓝润化学有限公司021-69515658 ; 69515628 13701998368 · [email protected]
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Additional notes
DefinitionChEBI: A glycine carrying an N-phenyl substituent.
Related reactions
53 records
Linked notes
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