Basic information
- CAS
873055-93-7- Standard SMILES
CC(C)c1ccc(NC(=O)OC(C)(C)C)cc1N- InChIKey
DBJTWYRNPZTDHS-UHFFFAOYSA-N- Molecular formula
- C14H22N2O2
- Average molar mass
- 250.34 g/mol
- Monoisotopic mass
- 250.16812795
Names & identifiers
- Preferred name
- (3-Amino-4-isopropyl-phenyl)-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-(3-amino-4-propan-2-ylphenyl)carbamate
Names & synonyms
873055-93-7tert-butyl N-[3-amino-4-(propan-2-yl)phenyl]carbamate(3-amino-4-isopropyl-phenyl)-carbamic acid tert-butyl estertert-Butyl (3-amino-4-isopropylphenyl)carbamateSCHEMBL398181DB-309847
Database identifiers
- CAS
873055-93-7- PubChem CID
- 57567331
- EC Number
- 161-651-5
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 284
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
0 records
No reaction records under the current filter.
Compound notes
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