N-[1-(Hydroxymethyl)propyl]-4-methylbenzenesulfonamide - CAS 304460-78-4
Catalog: |
BB020596 |
Product Name: |
N-[1-(Hydroxymethyl)propyl]-4-methylbenzenesulfonamide |
CAS: |
304460-78-4 |
Synonyms: |
N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide; N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide |
IUPAC Name: | N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide |
Description: | N-[1-(Hydroxymethyl)propyl]-4-methylbenzenesulfonamide (CAS# 304460-78-4) is a useful research chemical. |
Molecular Weight: | 243.32 |
Molecular Formula: | C11H17NO3S |
Canonical SMILES: | CCC(CO)NS(=O)(=O)C1=CC=C(C=C1)C |
InChI: | InChI=1S/C11H17NO3S/c1-3-10(8-13)12-16(14,15)11-6-4-9(2)5-7-11/h4-7,10,12-13H,3,8H2,1-2H3 |
InChI Key: | LJSHGNALHZTWHB-UHFFFAOYSA-N |
Appearance: | Solid |
MDL: | MFCD00458993 |
LogP: | 2.51590 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2499143-B1 | N7-substituted purine and pyrazolopyrimidine compounds, compositions and methods of use | 20091112 |
US-2011086840-A1 | N-7 substituted purine and pyrazolopyrimine compounds, compositions and methods of use | 20091112 |
US-8828990-B2 | N-7 substituted purine and pyrazolopyrimine compounds, compositions and methods of use | 20091112 |
WO-2011058025-A1 | N-7 substituted purine and pyrazolopyrimidine compounds, compositions and methods of use | 20091112 |
EP-2318377-A1 | Pyrimidine compounds, compositions and methods of use | 20080731 |
Complexity: | 289 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.09291458 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.09291458 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 74.8 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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