N-(3-aminomethyl-phenyl)-methanesulfonamide - CAS 114100-09-3
Catalog: |
BB003297 |
Product Name: |
N-(3-aminomethyl-phenyl)-methanesulfonamide |
CAS: |
114100-09-3 |
Synonyms: |
N-[3-(aminomethyl)phenyl]methanesulfonamide; N-[3-(aminomethyl)phenyl]methanesulfonamide |
IUPAC Name: | N-[3-(aminomethyl)phenyl]methanesulfonamide |
Description: | N-(3-aminomethyl-phenyl)-methanesulfonamide (CAS# 114100-09-3) is a useful research chemical. |
Molecular Weight: | 200.26 |
Molecular Formula: | C8H12N2O2S |
Canonical SMILES: | CS(=O)(=O)NC1=CC=CC(=C1)CN |
InChI: | InChI=1S/C8H12N2O2S/c1-13(11,12)10-8-4-2-3-7(5-8)6-9/h2-5,10H,6,9H2,1H3 |
InChI Key: | FPVJHDMFGIXROX-UHFFFAOYSA-N |
Purity: | 95 % |
Appearance: | Solid |
LogP: | 2.37090 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2015363761-A1 | Substituted amino triazoles useful as acidic mammalian chitinase inhibitors | 20141219 |
CA-2971395-A1 | Substituted amino triazoles useful as acidic mammalian chitinase inhibitors | 20141219 |
EP-3233832-B1 | Substituted amino triazoles useful as acidic mammalian chitinase inhibitors | 20141219 |
US-2016176843-A1 | Substituted amino triazoles useful as acidic mammalian chitinase inhibitors | 20141219 |
US-2016368894-A1 | Substituted amino triazoles useful as acidic mammalian chitinase inhibitors | 20141219 |
Complexity: | 245 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.06194880 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.06194880 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 80.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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Amines and Anilines
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