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N-Nitrososotalol

CAT: 0572-TRC-N137340-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N137340-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
134720-07-3
Synonyms
N-Nitrososotalol;Methanesulfonamide, N-[4-[1-hydroxy-2-[(1-methylethyl)nitrosoamino]ethyl]phenyl]-; N-[4-[1-Hydroxy-2-[(1-methylethyl)nitrosoamino]ethyl]phenyl]methanesulfonamide
Hazard Statement
Suspected of causing genetic defects
Purity
>95% (HPLC)
Smiles
CC(C)N(CC(O)c1ccc(NS(=O)(=O)C)cc1)N=O
Molecular Formula
C12 H19 N3 O4 S
Molecular Weight
301.362
InChI
InChI=1S/C12H19N3O4S/c1-9(2)15(14-17)8-12(16)10-4-6-11(7-5-10)13-20(3,18)19/h4-7,9,12-13,16H,8H2,1-3H3
Additionnal Information
IUPAC name: N-[4-[1-hydroxy-2-[nitroso(propan-2-yl)amino]ethyl]phenyl]methanesulfonamide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

N-(4-(1-hydroxy-2-(nitroso(propan-2-yl)amino)ethyl)phenyl)methanesulfonamide
CAS Number134720-07-3
PubChem CID154451
IUPAC NameN-[4-[1-hydroxy-2-[nitroso(propan-2-yl)amino]ethyl]phenyl]methanesulfonamide
Molecular FormulaC12H19N3O4S
Molecular Weight301.36
XLogP0.8
Topological Polar Surface Area107
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity399
SMILES
CC(C)N(CC(C1=CC=C(C=C1)NS(=O)(=O)C)O)N=O
InChI
InChI=1S/C12H19N3O4S/c1-9(2)15(14-17)8-12(16)10-4-6-11(7-5-10)13-20(3,18)19/h4-7,9,12-13,16H,8H2,1-3H3
InChIKey
JRGLEYZCDAJXQF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-(1-hydroxy-2-(nitroso(propan-2-yl)amino)ethyl)phenyl)methanesulfonamide
CAS: 134720-07-3
CID: 154451
Formula: C12H19N3O4S
MW: 301.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight301.36
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass301.10962727
Monoisotopic Mass301.10962727
Topological Polar Surface Area107 Ų
Heavy Atom Count20
Formal Charge0
Complexity399
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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