Basic information
- CAS
59160-29-1- Standard SMILES
Cc1cccc(C)c1NC(=O)CN(CC(=O)O)CC(=O)O- InChIKey
DJQJFMSHHYAZJD-UHFFFAOYSA-N- Molecular formula
- C14H18N2O5
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.12157168
Overview
Lidofenin is an amino acid amide.
Names & identifiers
- Preferred name
- Lidofenin
- IUPAC
- 2-[carboxymethyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]acetic acid
- English name
- N-(2,6-DIMETHYLPHENYLCARBAMOYLMETHYL)IMINODIACETIC ACID
- Molecular formula
- C14H18N2O5
- Molecular weight
- 294.3
Names & synonyms
Lidofenin59160-29-1HidaHepato-ScanLidofenineLidofeninumLidofeninaDTXSID2046389HID-AEK22QV7701Iminodiacetic acid, N-(2,6-dimethyl-phenyl-carbamoylmethyl)-(((2,6-Xylylcarbamoyl)methyl)imino)diacetic acid
Show more names
LidofeninoN-(2 6-DIMETHYLPHENYLCARBAMOYLMETHYL)- &(((2,6-xylylcarbamoyl)methyl)imino)di-aceticaciN-(2,6-XYLIDINOCARBONYLMETHYL)IMINODIACETIC ACIDN-(2,6-DIMETHYLPHENYL-CARBAMOYLMETHYL)*I MINODIACETI
2-[carboxymethyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]acetic acidDTXCID0026389N-(Carboxymethyl)-N-(2-((2,6-dimethylphenyl)amino)-2-oxoethyl)glycineGlycine, N-(carboxymethyl)-N-(2-((2,6-dimethylphenyl)amino)-2-oxoethyl)-Glycine, N-(carboxymethyl)-N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-[[(2,6-Xylylcarbamoyl)methyl]imino]diacetic acidN-(Carboxymethyl)-N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]glycine2-(carboxymethyl-(2-(2,6-dimethylanilino)-2-oxoethyl)amino)acetic acid
Database identifiers
- CAS
59160-29-1
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 373
Physicochemical properties
- Melting point
- 210 °C · 210 °C (dec.)(lit.)
- Boiling point
- 436.08 °C · 436.08°C (rough estimate)
- Density
- 1.2051 · 1.2051 (rough estimate)
- refractive index
- 1.511 · 1.5110 (estimate)
- form
- powder to crystal
- pka
- 3.5 · 3.50±0.10(Predicted)
- color
- White to Almost white
- Merck
- 14 · 14,5483
- CAS DataBase Reference
- 59160 · 59160-29-1
- FDA UNII
- 22 QV7701 · EK22QV7701
- EPA Substance Registry System
- 2 · Glycine, N-(carboxymethyl)-N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]- (59160-29-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AH1846000
- hs_code
- 2924.29.7790
- Toxicity
- LD50 i.v. in male mice: 168 mg/kg (Ryan)
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationGlycine, N-(carboxymethyl)-N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-: INACTIVE
Applications
UsesDiagnostic aid (hepatic function determination).
Upstream & downstream products
Upstream raw materials
Suppliers24 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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