tert-butyl N-(3-amino-5-chlorophenyl)carbamate
Basic information
- CAS
179411-72-4- Standard SMILES
CC(C)(C)OC(=O)Nc1cc(N)cc(Cl)c1- InChIKey
BEPCEEDBEMSIIB-UHFFFAOYSA-N- Molecular formula
- C11H15ClN2O2
- Average molar mass
- 242.7 g/mol
Names & identifiers
- Preferred name
- tert-butyl N-(3-amino-5-chlorophenyl)carbamate
- IUPAC
- tert-butyl N-(3-amino-5-chlorophenyl)carbamate
Names & synonyms
179411-72-4tert-butyl N-(3-amino-5-chlorophenyl)carbamateSCHEMBL6810856SCHEMBL31254121BEPCEEDBEMSIIB-UHFFFAOYSA-NDB-120105tert-Butyl (3-amino-5-chlorophenyl)carbamate(3-amino-5-chlorophenyl)carbamic acid tert-butyl ester3-amino-5-chlorophenylcarbamic acid, 1,1-dimethylethyl ester
Database identifiers
- CAS
179411-72-4- PubChem CID
- 53678032
- EC Number
- 179-467-9
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 253
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
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