4-(Methylsulfonyl)benzylamine Hydrochloride - CAS 98593-51-2
Catalog: |
BB042194 |
Product Name: |
4-(Methylsulfonyl)benzylamine Hydrochloride |
CAS: |
98593-51-2 |
Synonyms: |
(4-methylsulfonylphenyl)methanamine;hydrochloride; (4-methylsulfonylphenyl)methanamine;hydrochloride |
IUPAC Name: | (4-methylsulfonylphenyl)methanamine;hydrochloride |
Description: | 4-(Methylsulfonyl)benzylamine Hydrochloride (CAS# 98593-51-2) is a useful research chemical. |
Molecular Weight: | 221.70 |
Molecular Formula: | C8H12ClNO2S |
Canonical SMILES: | CS(=O)(=O)C1=CC=C(C=C1)CN.Cl |
InChI: | InChI=1S/C8H11NO2S.ClH/c1-12(10,11)8-4-2-7(6-9)3-5-8;/h2-5H,6,9H2,1H3;1H |
InChI Key: | NRXMOYDZMKXKMJ-UHFFFAOYSA-N |
Boiling Point: | 369.9 ℃ at 760 mmHg |
Density: | 1.225 g/cm3 |
Storage: | Inert atmosphere. Room temperature. |
MDL: | MFCD00216491 |
LogP: | 3.13190 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-10844017-B2 | Biaryl compound, preparation method and use thereof | 20170209 |
WO-2018030550-A1 | Heterocyclic compounds with an ror(gamma)t modulating activity | 20160809 |
EP-3151833-A1 | Mth1 inhibitors for treatment of inflammatory and autoimmune conditions | 20140604 |
US-10064869-B2 | MTH1 inhibitors for treatment of inflammatory and autoimmune conditions | 20140604 |
US-10632125-B2 | MTH1 inhibitors for treatment of inflammatory and autoimmune conditions | 20140604 |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.0277275 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.0277275 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Amines and Anilines
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS