Basic information
- CAS
1156096-32-0- Standard SMILES
CC(C)(C)OC(=O)Nc1ccc(N)cc1C#N- InChIKey
BZKUQHPZJOTSFK-UHFFFAOYSA-N- Molecular formula
- C12H15N3O2
- Average molar mass
- 233.27 g/mol
Names & identifiers
- Preferred name
- tert-Butyl (4-amino-2-cyanophenyl)carbamate
- IUPAC
- tert-butyl N-(4-amino-2-cyanophenyl)carbamate
Names & synonyms
1156096-32-0tert-Butyl (4-amino-2-cyanophenyl)carbamatetert-butyl N-(4-amino-2-cyanophenyl)carbamate2-(Boc-amino)-5-aminobenzonitrileMFCD12432385SCHEMBL16075925BZKUQHPZJOTSFK-UHFFFAOYSA-NSY286028tert-butyl 4-amino-2-cyanophenylcarbamateCS-0435949EN300-7136044tert-butyl N-(4-amino-2-cyano-phenyl)carbamate
Database identifiers
- CAS
1156096-32-0- PubChem CID
- 43548909
- EC Number
- 181-898-2
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 326
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, P317, 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
2 records
Compound notes
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