Tert-butyl 2-amino-6-methylbenzoate
Basic information
- CAS
1251221-12-1- Standard SMILES
Cc1cccc(N)c1C(=O)OC(C)(C)C- InChIKey
SCOWBCHXUOEXDO-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- Tert-butyl 2-amino-6-methylbenzoate
- IUPAC
- tert-butyl 2-amino-6-methylbenzoate
Names & synonyms
tert-butyl 2-amino-6-methylbenzoate1251221-12-1AKOS010564147EN300-6508150
Database identifiers
- CAS
1251221-12-1- PubChem CID
- 61310199
- EC Number
- 183-998-1
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 232
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%)
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Related reactions
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Compound notes
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