Basic information
- Standard SMILES
NCCS(=O)(=O)c1ccccc1- InChIKey
HEKKXNNVIAECAN-UHFFFAOYSA-N- Molecular formula
- C8H11NO2S
- Average molar mass
- 185.25 g/mol
Names & identifiers
- Preferred name
- 2-(Benzenesulfonyl)ethan-1-amine
- IUPAC
- 2-(benzenesulfonyl)ethanamine
- English name
- 2-(benzenesulfonyl)ethanamine
- Molecular formula
- C8H11NO2S
- Molecular weight
- 185.24
Names & synonyms
2-(benzenesulfonyl)ethan-1-amine67215-15-0RefChem:459694866-613-82-(phenylsulfonyl)ethanamine2-(benzenesulfonyl)ethanamineMFCD018625541-(phenylsulfonyl)eth-2-ylamine2-phenylsulfonylethanamineSCHEMBL1540590SCHEMBL1540593SCHEMBL4365964
Show more names
Ethanamine, 2-(phenylsulfonyl)-
SCHEMBL5971830SCHEMBL7438073SCHEMBL7709103CHEMBL2448849SCHEMBL286408692-(Phenylsulfonyl)ethan-1-amineHEKKXNNVIAECAN-UHFFFAOYSA-NSCA21515
Database identifiers
- CAS
67215-15-0- PubChem CID
- 3545497
- ChEMBL
CHEMBL2448849- EC Number
- 866-613-8
- Nikkaji
- J1.754.644I
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 212
Experimental & physicochemical properties
Dissociation Constants7.8
Physicochemical properties
- Boiling point
- 368.5 · 368.5±34.0 °C(Predicted)
- Density
- 1.223 · 1.223±0.06 g/cm3(Predicted)
- pka
- 7.2 · 7.20±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H335-H315-H318
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H302-H335-H315-H318
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers3 total
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
Related reactions
16 records
Linked notes
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