Basic information
- CAS
1423033-57-1- Standard SMILES
Cl.NCc1ccccc1CS(=O)(=O)N1CCCC1- InChIKey
ZHCNUQBLGPEJHN-UHFFFAOYSA-N- Molecular formula
- C12H19ClN2O2S
- Average molar mass
- 290.81 g/mol
- Monoisotopic mass
- 290.0855767
Names & identifiers
- Preferred name
- (2-((Pyrrolidine-1-sulfonyl)methyl)phenyl)methanamine hydrochloride
- IUPAC
- [2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methanamine;hydrochloride
Names & synonyms
1423033-57-1{2-[(pyrrolidine-1-sulfonyl)methyl]phenyl}methanamine hydrochloride(2-((Pyrrolidine-1-sulfonyl)methyl)phenyl)methanamine hydrochlorideRefChem:394794979-744-1[2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methanamine;hydrochloride(2-((Pyrrolidin-1-ylsulfonyl)methyl)phenyl)methanamine hydrochlorideYGC03357CS-0224140EN300-117967Z1517008707
Database identifiers
- CAS
1423033-57-1- PubChem CID
- 71757230
- EC Number
- 979-744-1
Properties
Computed structural properties
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 331
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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