Basic information
- CAS
20318-28-9- Standard SMILES
CCC(N)(C(=O)O)c1ccccc1- InChIKey
UBXUDSPYIGPGGP-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Names & identifiers
- Preferred name
- 2-Amino-2-phenylbutyric acid
- IUPAC
- 2-amino-2-phenylbutanoic acid
Names & synonyms
2-amino-2-phenylbutanoic acid2-Amino-2-phenylbutyric acid5438-07-3DTXSID309424699WL078BM46NSC 16593NSC-16593benzeneacetic acid, alpha-amino-alpha-ethyl-EINECS 226-616-1.ALPHA.-AMINO-.ALPHA.-ETHYLBENZENEACETIC ACIDBENZENEACETIC ACID, .ALPHA.-AMINO-.ALPHA.-ETHYL-(+-)-2-amino-2-phenylbutyric acid
Show more names
RefChem:463538DTXCID708933202-AMINO-2-PHENYLBUTYRIC ACID, (+-)-ALPHA-AMINO-ALPHA-ETHYLBENZENEACETIC ACID226-616-1MFCD00038162alpha-Amino-alpha-phenylbutyric acid2-amino-2-phenylbutanoicacid
Database identifiers
- CAS
20318-28-9、5438-07-3- PubChem CID
- 89317
- DTXSID
DTXSID30942469- ChEMBL
CHEMBL225585- UNII
- 9WL078BM46
- EC Number
- 226-616-1、243-729-1
- Nikkaji
- J27.576J
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 187
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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 2-amino-2-phenylbutyric acid (EC: 226-616-1)
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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