2-amino-2-(4-methylphenyl)acetic Acid
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Basic information
- CAS
13227-01-5- Standard SMILES
Cc1ccc(C(N)C(=O)O)cc1- InChIKey
RZRRCPHBUKHOEY-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Names & identifiers
- Preferred name
- 2-amino-2-(4-methylphenyl)acetic Acid
- IUPAC
- 2-amino-2-(4-methylphenyl)acetic acid
- English name
- 2-AMINO-2-(4-METHYLPHENYL)ACETIC ACID
- Molecular formula
- C9H11NO2
- Molecular weight
- 165.19
Names & synonyms
13227-01-52-amino-2-(4-methylphenyl)acetic AcidDTXSID70408892RefChem:255267DTXCID20359744676-265-72-Amino-2-(p-tolyl)acetic acidDL-4-Methylphenylglycineamino(4-methylphenyl)acetic acidMFCD00665357BENZENEACETIC ACID, ALPHA-AMINO-4-METHYL-SCHEMBL5300400
Show more names
RARECHEM AK ML 05284-Methylphenyl glycinDL-2-(p-Tolyl)glycineRS-4-Methylphenylglycine2-amino-2-p-tolylacetic acid4-methyl-phenylglycine USP/EP/BP
2-Amino-2-(p-tolyl)aceticacidEN300-70125Z3170246624-Methylphenyl glycineAmino-p-tolyl-acetic acidH-DL-4-Me-Gly-OH(S)-a-Amino-4-methylbenzeneacetic acid(S)-Amino-p-tolylacetic acid
Database identifiers
- CAS
13227-01-5- PubChem CID
- 5152152
- DTXSID
DTXSID70408892- ChEMBL
CHEMBL434994- EC Number
- 676-265-7
- Nikkaji
- J1.289.638G
Properties
Computed structural propertiesFilling in
- XLogP
- -1.3
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Melting point
- 256 · 256-257°
- Boiling point
- 306.8 · 306.8±30.0 °C(Predicted)
- Density
- 1.2 · 1.200±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- 0.1 · Acetonitrile: Slightly soluble: 0.1-1 mg/ml
- form
- solid
- pka
- 2.03 · 2.03±0.10(Predicted)
- color
- White
- CAS DataBase Reference
- 13227 · 13227-01-5(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2922498590 · 2922498590
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 2 reports by companies from 2 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
- hs_code
- 2922498590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2-Amino-2-(p-tolyl)acetic acid is used for optimizing azide skeleton, and is the intermediate in the synthesis of 1,3, 4-thiadiazole compounds. 1,3,4-thiadiazole compounds exhibit potential anti-cancer activity, and inhibit glutaminase (GLSI)[1][2].
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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