Basic information
- CAS
6405-80-7- Standard SMILES
NC(N)=NC(N)=Nc1ccc(S(=O)(=O)O)cc1- InChIKey
MURZSIQUBHOHPQ-UHFFFAOYSA-N- Molecular formula
- C8H11N5O3S
- Average molar mass
- 257.27 g/mol
- Monoisotopic mass
- 257.0582604
Names & identifiers
- Preferred name
- N-(Amidinoamidino)sulfanilic acid
- IUPAC
- 4-[[amino-(diaminomethylideneamino)methylidene]amino]benzenesulfonic acid
- English name
- 4-[3-(Amidino)guanidino]benzenesulfonic acid
- Molecular formula
- C8H11N5O3S
- Molecular weight
- 257.27
Names & synonyms
N-(Amidinoamidino)sulfanilic acidRefChem:828308633-198-839604-29-0n-(4-sulfophenyl)biguanideSulfanilic acid, N-(amidinoamidino)-N-Amidinoamidinosulfanilic acid6405-80-7Phenylbiguanide-p-sulfonic acid4-[[amino-(diaminomethylideneamino)methylidene]amino]benzenesulfonic acidNSC17580MFCD00024954
Show more names
4-[3-(Amidino)guanidino]benzenesulfonic acid
NSC-17580Benzenesulfonic acid, 4-((((aminoiminomethyl)amino)iminomethyl)amino)-1-p-SulfophenylbiguanideBenzenesulfonic acid, 4-[[[(aminoiminomethyl)amino]iminomethyl]amino]-N-(Amidinoamidino)-sulfanilic acidNSC 175804-{[(amidinoamino)iminomethyl]amino}benzenesulfonic acidBRN 3393536
Database identifiers
- CAS
6405-80-7- PubChem CID
- 80819
- ChEMBL
CHEMBL1253214- EC Number
- 633-198-8
- Nikkaji
- J49.524G
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 413
Physicochemical properties
- Melting point
- 275 °C · 275 °C
- Density
- 1.712 · 1.712±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.684 · -0.684±0.50(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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