Basic information
- CAS
70258-06-9- Standard SMILES
CC(N)(Cc1ccncc1)C(=O)O- InChIKey
FYXUEVYRXPRJQA-UHFFFAOYSA-N- Molecular formula
- C9H12N2O2
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.08987763
Names & identifiers
- Preferred name
- 2-Amino-2-methyl-3-(pyridin-4-yl)propanoic acid
- IUPAC
- 2-amino-2-methyl-3-pyridin-4-ylpropanoic acid
Names & synonyms
2-amino-2-methyl-3-(pyridin-4-yl)propanoic acid70258-06-92-amino-2-methyl-3-(4-pyridyl)propanoic acid6YA74NGT7SSCHEMBL8266516EN300-81061354-Pyridinepropanoic acid, alpha-amino-alpha-methyl-Z12513610352-Amino-2-methyl-3-(pyridin-4-yl)propanoic acid, (+/-)-4-Pyridinepropanoic acid, alpha-amino-alpha-methyl-, (+/-)-
Database identifiers
- CAS
70258-06-9- PubChem CID
- 12487474
- UNII
- 6YA74NGT7S
- EC Number
- 179-341-3
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 190
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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