2-Amino-3-tert-butylbenzoic acid
Basic information
- CAS
917874-35-2- Standard SMILES
CC(C)(C)c1cccc(C(=O)O)c1N- InChIKey
YNNAVMCVYYHOJP-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Names & identifiers
- Preferred name
- 2-Amino-3-tert-butylbenzoic acid
- IUPAC
- 2-amino-3-tert-butylbenzoic acid
Names & synonyms
2-amino-3-tert-butylbenzoic acid917874-35-2DTXSID50435621RefChem:255411DTXCID50386447837-994-82-Amino-3-(tert-butyl)benzoic acid2-amino-3-tert-butyl-benzoic AcidSCHEMBL9207376YNNAVMCVYYHOJP-UHFFFAOYSA-N2-Amino-3-(tert-butyl)benzoicacidSLB87435
Show more names
AKOS013580940DA-00950CS-0233542EN300-134324
Database identifiers
- CAS
917874-35-2- PubChem CID
- 10104063
- DTXSID
DTXSID50435621- EC Number
- 837-994-8
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 220
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
1 records
Compound notes
Loading…