Basic information
- CAS
104458-33-5- Standard SMILES
Cl.NCCCS(N)(=O)=O- InChIKey
NQJRBKKDZRPLFE-UHFFFAOYSA-N- Molecular formula
- C3H11ClN2O2S
- Average molar mass
- 174.65 g/mol
- Monoisotopic mass
- 174.0229765
Names & identifiers
- Preferred name
- 3-Aminopropane-1-sulfonamide hydrochloride
- IUPAC
- 3-aminopropane-1-sulfonamide;hydrochloride
- English name
- 3-AMinopropane-1-sulfonaMide, HCl
- Molecular formula
- C3H11ClN2O2S
- Molecular weight
- 174.64964
Names & synonyms
3-aminopropane-1-sulfonamide hydrochlorideRefChem:497767846-326-4104458-33-53-Aminopropane-1-sulfonamide HClMFCD129129513-aminopropane-1-sulfonamide;hydrochloride3-Aminopropane-1-sulfonamide, HCl1-Propanesulfonamide, 3-amino-, monohydrochlorideSCHEMBL7224453-Aminopropane-1-sulfonamide,HClNQJRBKKDZRPLFE-UHFFFAOYSA-N
Show more names
3-Amino-propane-1-sulfonic acid amide hydrochloride
EEA45833AKOS026672398BS-22407SY174208DB-151519CS-0139340EN300-51335C77596
Database identifiers
- CAS
104458-33-5- PubChem CID
- 20031880
- EC Number
- 846-326-4
Properties
Computed structural properties
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Melting point
- 159 · 159-160 °C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses3-Aminopropane-1-sulfonamide Hydrochloride is an intermediate in the preparation of pyrrolopyridinylbenzenesulfonamide compounds as IKK2 inhibitors.
Upstream & downstream products
Upstream raw materials
Suppliers14 total
韶远科技(上海)有限公司4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海特伯化学科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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