N-(2-carboxyphenyl)glycine

HCID 69161CAS 612-42-0
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)CNc1ccccc1C(=O)O
InChIKey
PJUXPMVQAZLJEX-UHFFFAOYSA-N
Molecular formula
C9H9NO4
Average molar mass
195.17 g/mol
Monoisotopic mass
195.05315777

Overview

2-[(carboxymethyl)amino]benzoic acid has been reported in Aspergillus terreus with data available.

Names & identifiers

Preferred name
N-(2-carboxyphenyl)glycine
IUPAC
2-(carboxymethylamino)benzoic acid
English name
N-(2-Carboxyphenyl)glycine
Molecular formula
C9H9NO4
Molecular weight
195.17

Names & synonyms

612-42-0N-(2-Carboxyphenyl)glycineN-(Carboxymethyl)anthranilic acid2-(carboxymethylamino)benzoic acidBenzoic acid, 2-[(carboxymethyl)amino]-Benzoic acid, 2-((carboxymethyl)amino)-DTXSID9060609RefChem:161691DTXCID7042982210-311-52-[(carboxymethyl)amino]benzoic acid2-((Carboxymethyl)amino)benzoic acid
Show more names
RMA-329AKOS AU36-M366AKOS BBS-00007771TIMTEC-BB SBB006542anthranilidoacetic acidAnthranilinoacetic acidN-(CARBOXYPHENYL)GLYCINE(2-carboxyphenyl)glycine
Phenylglycine-o-carboxylic acidMFCD00020445Glycine, N-(o-carboxyphenyl)-Anthranilic acid, N-(carboxymethyl)-141865-09-02-(Carboxymethyl-amino)-benzoic acidEINECS 210-311-5NSC 80600

Database identifiers

CAS
612-42-0
PubChem CID
69161
DTXSID
DTXSID9060609
ChEMBL
CHEMBL443231
EC Number
210-311-5
Nikkaji
J7.018A

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
86.6 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
14

Experimental & physicochemical properties

Solubility>29.3 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point
218 °C · 218 °C (dec.)(lit.)
Boiling point
218 °C · 218°C
Density
1.472 · 1.472
refractive index
1.57 · 1.5700 (estimate)
Flash point
218 °C/ · 218°C/
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationREACH registered substance: N-(carboxymethyl)anthranilic acid (EC: 210-311-5)
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk
3
tsca
TSCA listed
hs_code
29224985
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzoic acid, 2-[(carboxymethyl)amino]-: INACTIVE

Applications

Uses2-((Carboxymethyl)amino)benzoic acid is a Glycine (HY-Y0966) derivative[1].

Upstream & downstream products

Upstream raw materials

Suppliers50 total

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
Xi'an Tuochao Biotechnology Co., Ltd+86-02988764766 +86-18092957403 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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