Basic information
- CAS
29604-19-1- Standard SMILES
CN1CCN(S(N)(=O)=O)CC1- InChIKey
NMAOAFBQWWLHQG-UHFFFAOYSA-N- Molecular formula
- C5H13N3O2S
- Average molar mass
- 179.24 g/mol
- Monoisotopic mass
- 179.07284766
Names & identifiers
- Preferred name
- 4-Methylpiperazine-1-sulfonamide
- IUPAC
- 4-methylpiperazine-1-sulfonamide
- English name
- 1-Piperazinesulfonamide,4-methyl-(8CI,9CI)
- Molecular formula
- C5H13N3O2S
- Molecular weight
- 179.24
Names & synonyms
4-METHYLPIPERAZINE-1-SULFONAMIDE29604-19-1DTXSID70558987RefChem:294663DTXCID20509767843-913-71-Piperazinesulfonamide, 4-methyl-MFCD112051884-Methyl-1-piperazinesulfonamideSCHEMBL490219SCHEMBL9663002NMAOAFBQWWLHQG-UHFFFAOYSA-N
Show more names
N-sulfamoyl-N'-methylpiperazine1-Piperazinesulfonamide,4-methyl-(8CI,9CI)
EBA60419AKOS028114021DS-19415SY292686DB-305996CS-0062103EN300-271160F52260
Database identifiers
- CAS
29604-19-1- PubChem CID
- 14326005
- DTXSID
DTXSID70558987- EC Number
- 843-913-7
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 75 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Boiling point
- 306.5 · 306.5±52.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 12.49 · 12.49±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-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
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, 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers13 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
常州宣叶科技有限公司15195022192 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
盐城康迪森医药科技有限公司13812573443;18052965989 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 · [email protected]
无锡凯德瑞医药科技有限公司19906241957 · [email protected]
嘉兴市德亿化工有限公司86-0573-85866609 18367600069 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Related reactions
12 records
Compound notes
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