Basic information
- CAS
2568-34-5- Standard SMILES
CN(CC(=O)O)C(=O)c1ccccc1- InChIKey
PKCSYDDSNIJRIX-UHFFFAOYSA-N- Molecular formula
- C10H11NO3
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.07389321
Overview
N-methylhippuric acid is an N-acylglycine that is N-methylglycine in which the hydrogen of the amino group is substituted by a benzoyl group. It has a role as an EC 1.1.1.21 (aldehyde reductase) inhibitor. It is a N-acylglycine and a monocarboxylic acid.
Names & identifiers
- Preferred name
- N-benzoyl-N-methylglycine
- IUPAC
- 2-[benzoyl(methyl)amino]acetic acid
- English name
- N-Methylhippuric acid
- Molecular formula
- C10H11NO3
- Molecular weight
- 193.2
Names & synonyms
2568-34-5N-Methylhippuric acidN-Benzoyl-N-methylglycineN-BenzoylsarcosineGlycine, N-benzoyl-N-methyl-DTXSID8062527CHEBI:141362RefChem:163834DTXCID60373582-(N-Methylbenzamido)acetic acid2-[benzoyl(methyl)amino]acetic acidBenzoylsarcosine
Show more names
N-Benzoyl-SarcosineN-Methylhippuric acid,99%N-Methyl-N-benzoylglycinen-benzoyl-n-methyl-glycinN-Methylhippuric acid, 99% 5GR(Methylbenzoylamino)acetic acid
2-(N-Methyl-1-Phenylformamido)Acetic AcidMFCD00144940Sarcosine, N-benzoyl-[benzoyl(methyl)amino]acetic acidCHEMBL66391(Benzoyl-methyl-amino)-acetic acidBenzoylsarkosinHippuric acid, .beta.-methyl-
Database identifiers
- CAS
2568-34-5- PubChem CID
- 75728
- DTXSID
DTXSID8062527- ChEMBL
CHEMBL66391
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Melting point
- 101 · 101-105 °C
- Boiling point
- 329.41 °C · 329.41°C (rough estimate)
- Density
- 1.2307 · 1.2307 (rough estimate)
- refractive index
- 1.53 · 1.5300 (estimate)
- storage temp.
- 2 · 2-8°C
- pka
- 3.73 · 3.73±0.10(Predicted)
- form
- Crystalline Powder
- color
- White
- EPA Substance Registry System
- Glycine, N-benzoyl-N-methyl- (2568-34-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 37 · 37/39-26
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
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- tsca
- TSCA listed
- hs_code
- 29225000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationGlycine, N-benzoyl-N-methyl-: INACTIVE
Suppliers27 total
陕西格列弗生物科技研究有限责任公司18409274651; 13892423764 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [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（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
成都创科诚生物科技有限公司028-028-0000000 13008177686 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
九鼎化学（上海）科技有限公司
Related reactions
2 records
Compound notes
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