CAS 669008-25-7 N-tert-butyl-1-methylcyclopropane-1-sulfonamide (HCID 21889792)

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Basic information

CAS: 669008-25-7
Standard SMILES: CC(C)(C)NS(=O)(=O)C1(C)CC1
InChIKey: FVVKCIUZDXQPKF-UHFFFAOYSA-N
Molecular formula: C8H17NO2S
Average molar mass: 191.29 g/mol
Monoisotopic mass: 191.09799978

Names & identifiers

Preferred name: N-tert-butyl-1-methylcyclopropane-1-sulfonamide
IUPAC: N-tert-butyl-1-methylcyclopropane-1-sulfonamide
English name: 1-Methyl-cyclopropanesulfonic acid tert-butylamide
Molecular formula: C8H17NO2S
Molecular weight: 191.29

Names & synonyms

669008-25-7N-(tert-butyl)-1-methylcyclopropane-1-sulfonamideN-tert-butyl-1-methylcyclopropane-1-sulfonamideMFCD117070461-Methyl-cyclopropanesulfonic acid tert-butylamideN-tert-butyl-1-methylcyclopropanesulfonamideN-tert-butyl-1-methyl-cyclopropanesulfonamideN-tert-Butyl-(1-methyl)cyclopropyl-sulfonamideSCHEMBL636022DTXSID20619512FVVKCIUZDXQPKF-UHFFFAOYSA-NAKOS006346062

Show more names

EOS-60886N-tert-butyl-1-methyl-1-cyclopropanesulfonamideCYCLOPROPANESULFONAMIDE, N-(1,1-DIMETHYLETHYL)-1-METHYL-

AS-68028SY101778DB-009241CS-0088421N-tert-Butyl-(1-methyl)cyclopropylsulfonamideN-tert-Butyl-(1-methyl) cyclopropylsulfonamideN-tert-Butyl-(1-methyl)cyclopropylsul-fonamideF048945

Database identifiers

CAS: 669008-25-7
PubChem CID: 21889792
DTXSID: DTXSID20619512

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 54.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 264

Physicochemical properties

Boiling point: 259 · 259.0±23.0 °C(Predicted)
Density: 1.11 · 1.11±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 12.01 · 12.01±0.20(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 6 · GHS06,GHS08,GHS02
Signal word: Danger
Hazard statements: 330 · H330-H302-H315-H319-H304-H225
Precautionary statements: 501 · P501-P260-P270-P240-P210-P233-P243-P241-P242-P271-P264-P280-P284-P370+P378-P331-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P301+P310-P304+P340+P310-P403+P233-P403+P235-P405

Safety & regulation

Safety data

Signal word: Danger
Symbol(GHS): GHS06,GHS08,GHS02
Hazard statements: H330-H302-H315-H319-H304-H225
Precautionary statements: P501-P260-P270-P240-P210-P233-P243-P241-P242-P271-P264-P280-P284-P370+P378-P331-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P301+P310-P304+P340+P310-P403+P233-P403+P235-P405