N4-Acetylsulfaguanidine
Basic information
- CAS
19077-97-5- Standard SMILES
CC(=O)Nc1ccc(S(=O)(=O)N=C(N)N)cc1- InChIKey
BDTLWPHLHNDHRC-UHFFFAOYSA-N- Molecular formula
- C9H12N4O3S
- Average molar mass
- 256.28 g/mol
- Monoisotopic mass
- 256.06301143
Names & identifiers
- Preferred name
- N4-Acetylsulfaguanidine
- IUPAC
- N-[4-(diaminomethylideneamino)sulfonylphenyl]acetamide
- English name
- N-[4-[[(aminoiminomethyl)amino]sulphonyl]phenyl]acetamide
- Molecular formula
- C9H12N4O3S
- Molecular weight
- 256.28
Names & synonyms
19077-97-5N4-AcetylsulfaguanidineAcetamide, N-[4-[[(aminoiminomethyl)amino]sulfonyl]phenyl]-CY3Y2W2RLNSULGIN ASGEINECS 242-800-4UNII-CY3Y2W2RLNNSC 28593NSC-28593N-(4-(((Aminoiminomethyl)amino)sulfonyl)phenyl)acetamideAcetamide, N-(4-(((aminoiminomethyl)amino)sulfonyl)phenyl)-DTXSID90885080
Show more names
Acetylsulfaguanidine4-Acetylamino-N-(aminoiminomethyl)benzenesulfonamideN-[4-[[(aminoiminomethyl)amino]sulphonyl]phenyl]acetamide
P-(GUANIDINOSULFONYL)ACETANILIDEN-[4-[[(Aminoiminomethyl)amino]sulfonyl]phenyl]acetamideRefChem:164348DTXCID901024484242-800-4n-[4-(carbamimidoylsulfamoyl)phenyl]acetamideN-[4-({[amino(imino)methyl]amino}sulfonyl)phenyl]acetamideN-[4-(diaminomethylideneamino)sulfonylphenyl]acetamide
Database identifiers
- CAS
19077-97-5- PubChem CID
- 87925
- DTXSID
DTXSID90885080- ChEMBL
CHEMBL53801- UNII
- CY3Y2W2RLN
- EC Number
- 242-800-4
- Nikkaji
- J43.355A
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 400
Physicochemical properties
- Melting point
- 259 · 259-263 °C
- Density
- 1.4111 · 1.4111 (rough estimate)
- refractive index
- 1.62 · 1.6200 (estimate)
- pka
- 10.87 · 10.87±0.70(Predicted)
- Water Solubility
- 399.8 mg/L · 399.8mg/L(37.5 ºC)
- FDA UNII
- 3 Y2W2RLN · CY3Y2W2RLN
- EPA Substance Registry System
- 4 · Acetamide, N-[4-[[(aminoiminomethyl)amino]sulfonyl]phenyl]- (19077-97-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetamide, N-[4-[[(aminoiminomethyl)amino]sulfonyl]phenyl]-: INACTIVE
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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