3-Amino-N-benzylbenzenesulphonamide
Basic information
- CAS
303780-52-1- Standard SMILES
Nc1cccc(S(=O)(=O)NCc2ccccc2)c1- InChIKey
BUBJRDZLVJJKLT-UHFFFAOYSA-N- Molecular formula
- C13H14N2O2S
- Average molar mass
- 262.33 g/mol
- Monoisotopic mass
- 262.07759887
Names & identifiers
- Preferred name
- 3-Amino-N-benzylbenzenesulphonamide
- IUPAC
- 3-amino-N-benzylbenzenesulfonamide
- English name
- 3-Amino-N-benzylbenzenesulfonamide
- Molecular formula
- C13H14N2O2S
- Molecular weight
- 262.33
Names & synonyms
3-Amino-N-benzylbenzenesulphonamideRefChem:497654807-079-83-amino-N-benzylbenzenesulfonamide303780-52-1N-Benzyl 3-AminobenzenesulfonamideMFCD07363817Benzenesulfonamide, 3-amino-N-(phenylmethyl)-3-AMINO-N-BENZYLBENZENE-1-SULFONAMIDESCHEMBL5032445SCHEMBL5849803SCHEMBL31339948
Show more names
3-Amino-N-benzylbenzenesulphonamide97%3-Amino-N-benzylbenzenesulphonamide 97%3-AMINO-N-BENZYLBENZENESULFONAMIDE USP/EP/BP
DTXSID20428409BUBJRDZLVJJKLT-UHFFFAOYSA-N3-amino-N-benzyl-benzenesulfonamideAKOS000159508AB30828BS-22261CS-0213118Z285214378
Database identifiers
- CAS
303780-52-1- PubChem CID
- 7204892
- DTXSID
DTXSID20428409- EC Number
- 807-079-8
- Nikkaji
- J1.365.588J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Melting point
- 58 · 58-62°C
- Boiling point
- 484.1 · 484.1±55.0 °C(Predicted)
- Density
- 1.292 · 1.292±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- form
- solid
- pka
- 11.52 · 11.52±0.30(Predicted)
- color
- off white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 260 · P260-P280-P312
- Hazard Codes
- Xi
- HS Code
- 2935909099 · 2935909099
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%)
Safety data
- hs_code
- 2935909099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P260-P280-P312
Suppliers
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Related reactions
2 records
Compound notes
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