3-[(N,N-Dimethylsulfamoyl)amino]phenylboronic Acid - CAS 277295-50-8
Catalog: |
BB019657 |
Product Name: |
3-[(N,N-Dimethylsulfamoyl)amino]phenylboronic Acid |
CAS: |
277295-50-8 |
Synonyms: |
[3-(dimethylsulfamoylamino)phenyl]boronic acid; [3-(dimethylsulfamoylamino)phenyl]boronic acid |
IUPAC Name: | [3-(dimethylsulfamoylamino)phenyl]boronic acid |
Description: | 3-[(N,N-Dimethylsulfamoyl)amino]phenylboronic Acid (CAS# 277295-50-8) is a useful research chemical. |
Molecular Weight: | 244.08 |
Molecular Formula: | C8H13N2O4SB |
Canonical SMILES: | B(C1=CC(=CC=C1)NS(=O)(=O)N(C)C)(O)O |
InChI: | InChI=1S/C8H13BN2O4S/c1-11(2)16(14,15)10-8-5-3-4-7(6-8)9(12)13/h3-6,10,12-13H,1-2H3 |
InChI Key: | UHPQMFBFPJCLDX-UHFFFAOYSA-N |
Boiling Point: | 438.5 °C at 760 mmHg |
Density: | 1.4 g/cm3 |
MDL: | MFCD08235107 |
LogP: | -0.26150 |
GHS Hazard Statement: | H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P316, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2018243298-A1 | Trpv3 modulators | 20150402 |
WO-2016160938-A1 | N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamides as trpv3 modulators | 20150402 |
US-2013267521-A1 | Heterocyclic compounds and uses thereof | 20120410 |
WO-2013154878-A1 | Heterocyclic compounds and uses thereof | 20120410 |
EP-2822931-A1 | Triazolone compounds and uses thereof | 20120309 |
Complexity: | 315 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.0689082 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.0689082 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 98.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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