Basic information
- CAS
1709-54-2- Standard SMILES
Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1- InChIKey
ZHKXBELKPQXYEH-UHFFFAOYSA-N- Molecular formula
- C13H14N2O2S
- Average molar mass
- 262.33 g/mol
- Monoisotopic mass
- 262.07759887
Names & identifiers
- Preferred name
- 4-amino-N-benzylbenzene-1-sulfonamide
- IUPAC
- 4-amino-N-benzylbenzenesulfonamide
- English name
- 4-Amino-N-benzyl-benzenesulfonamide
- Molecular formula
- C13H14N2O2S
- Molecular weight
- 262.33
Names & synonyms
4-amino-N-benzylbenzene-1-sulfonamideRefChem:518135836-966-24-amino-N-benzylbenzenesulfonamide1709-54-24-AMINO-N-BENZYL-BENZENESULFONAMIDEMFCD01016116[(4-aminophenyl)sulfonyl]benzylamineNCGC00160364-01CAS-104-22-3N-Benzyl-sulfanilamidMLS004754475
Show more names
Benzenesulfonamide, 4-amino-N-(phenylmethyl)-SeptasinAKOS BBB/041ProseptasineBenzylsulfanilamidumBenzylsulfamidum [Latin]Benzylsulfamide [DCF:INN]Bencilsulfamida [Spanish]N(sup 4)Benzylsulfanilamide
SCHEMBL151655CHEMBL1797554ZHKXBELKPQXYEH-UHFFFAOYSA-NALBB-000047NSC37906Tox21_111765BBL013589NSC-37906
Database identifiers
- CAS
1709-54-2- PubChem CID
- 66909
- DTXSID
DTXSID3046110- ChEMBL
CHEMBL1797554
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
- 336
Physicochemical properties
- Melting point
- 107 °C · 107 °C
- Boiling point
- 470.9 · 470.9±55.0 °C(Predicted)
- Density
- 1.292 · 1.292±0.06 g/cm3(Predicted)
- pka
- 12.5 · 12.50±0.30(Predicted)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers22 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海技毅生物科技有限公司13621943973 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海前衍生物科技有限公司02781293128 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
常州美泰生物科技有限公司0519-83246372 13585352506
Related reactions
4 records
Compound notes
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