4-(4-Methylpiperazine-1-sulfonyl)aniline
Basic information
- CAS
21623-68-7- Standard SMILES
CN1CCN(S(=O)(=O)c2ccc(N)cc2)CC1- InChIKey
YEKKOBZSGMPECJ-UHFFFAOYSA-N- Molecular formula
- C11H17N3O2S
- Average molar mass
- 255.34 g/mol
- Monoisotopic mass
- 255.10414797
Names & identifiers
- Preferred name
- 4-(4-Methylpiperazine-1-sulfonyl)aniline
- IUPAC
- 4-(4-methylpiperazin-1-yl)sulfonylaniline
- English name
- 4-[(4-Methylpiperazine-1-)sulfonyl]aniline
- Molecular formula
- C11H17N3O2S
- Molecular weight
- 255.34
Names & synonyms
21623-68-74-(4-Methylpiperazine-1-sulfonyl)anilineDTXSID20340773RefChem:288183DTXCID402918544-(4-Methyl-piperazine-1-sulfonyl)-phenylamine4-[(4-methylpiperazin-1-yl)sulfonyl]aniline4-((4-methylpiperazin-1-yl)sulfonyl)aniline4-[(4-Methyl-1-piperazinyl)sulfonyl]aniline4-(4-methylpiperazin-1-yl)sulfonylanilineMFCD030502834-[(4-methylpiperazine-1-)sulfonyl]aniline
Show more names
AKOS BB-5445AKOS BBS-00000300IFLAB-BB F1549-0049TIMTEC-BB SBB0119964-(4-Methyl-piperazine-1-sulfonyl)-
4-(4-methylpiperazine-1-sulfonyl)phenylamineF1549-00494-[(4-methylpiperazinyl)sulfonyl]phenylamineMLS000103458OTAVA-BB BB71182920191-(4-aminophenylsulfonyl)-4-methylpiperazineAKOS BBB/032Oprea1_271539
Database identifiers
- CAS
21623-68-7- PubChem CID
- 567261
- DTXSID
DTXSID20340773- ChEMBL
CHEMBL1898182- EC Number
- 673-899-6
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 75 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 336
Physicochemical properties
- Melting point
- 228 · 228-229°C
- Boiling point
- 424.1 · 424.1±55.0 °C(Predicted)
- Density
- 1.288 · 1.288±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 6.38 · 6.38±0.42(Predicted)
- CAS DataBase Reference
- 21623 · 21623-68-7(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H312-H315-H332-H302
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- HazardClass
- IRRITANT
- HS Code
- 29335990 · 29335990
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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 29335990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H335-H319-H312-H315-H332-H302
- Precautionary statements
- P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
Related reactions
7 records
Compound notes
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