4-amino-N-(1-methylazepan-2-ylidene)benzene-1-sulfonamide
Basic information
- CAS
126826-62-8- Standard SMILES
CN1CCCCC/C1=N/S(=O)(=O)c1ccc(N)cc1- InChIKey
VIUXQTIZQWJGKF-SQFISAMPSA-N- Molecular formula
- C13H19N3O2S
- Average molar mass
- 281.38 g/mol
- Monoisotopic mass
- 281.11979803
Names & identifiers
- Preferred name
- 4-amino-N-(1-methylazepan-2-ylidene)benzene-1-sulfonamide
- IUPAC
- (NZ)-4-amino-N-(1-methylazepan-2-ylidene)benzenesulfonamide
Names & synonyms
4-amino-N-(1-methylazepan-2-ylidene)benzene-1-sulfonamideRefChem:518075101-547-94-amino-N-[(2Z)-1-methylazepan-2-ylidene]benzene-1-sulfonamide126826-62-8AKOS008138633EN300-44917Z450468314
Database identifiers
- CAS
126826-62-8- PubChem CID
- 6449657
- EC Number
- 101-547-9
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 420
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
0 records
No reaction records under the current filter.
Compound notes
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