2-Amino-2-(4-methylphenyl)propanoic acid
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Basic information
- CAS
6269-79-0- Standard SMILES
Cc1ccc(C(C)(N)C(=O)O)cc1- InChIKey
KTSIQFUCAZXVBY-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Names & identifiers
- Preferred name
- 2-Amino-2-(4-methylphenyl)propanoic acid
- IUPAC
- 2-amino-2-(4-methylphenyl)propanoic acid
- English name
- a-Amino-a,4-dimethylbenzeneacetic acid
- Molecular formula
- C10H13NO2
- Molecular weight
- 179.21572
Names & synonyms
2-amino-2-(4-methylphenyl)propanoic acid6269-79-02-Amino-2-(p-tolyl)propanoic acidMFCD02662588a-Amino-a,4-dimethylbenzeneacetic acidNSC33390SCHEMBL11510852DTXSID403285132-Amino-2-(p-tolyl)propanoicacidNSC-33390STK893168AKOS000175583
Show more names
Benzeneacetic acid, α-?amino-?α,?4-?dimethyl-
AKOS022061142CS-0313947F79609F720909
Database identifiers
- CAS
6269-79-0- PubChem CID
- 411072
- DTXSID
DTXSID40328513- Nikkaji
- J2.000.880F
Properties
Computed structural propertiesFilling in
- XLogP
- -1.2
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Boiling point
- 316.6 · 316.6±30.0 °C(Predicted)
- Density
- 1.162 · 1.162±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 2.08 · 2.08±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
- 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.
Safety data
- hs_code
- 2922498590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
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Compound notes
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