3-(Methylsulfonyl)-1-propylamine Hydrochloride - CAS 157825-88-2
Catalog: |
BB011357 |
Product Name: |
3-(Methylsulfonyl)-1-propylamine Hydrochloride |
CAS: |
157825-88-2 |
Synonyms: |
3-methylsulfonyl-1-propanamine;hydrochloride; 3-methylsulfonylpropan-1-amine;hydrochloride |
IUPAC Name: | 3-methylsulfonylpropan-1-amine;hydrochloride |
Description: | 3-(Methylsulfonyl)-1-propylamine Hydrochloride (CAS# 157825-88-2) is used in the synthesis of acetyl coenzyme A analogs. |
Molecular Weight: | 173.66 |
Molecular Formula: | C4H12ClNO2S |
Canonical SMILES: | CS(=O)(=O)CCCN.Cl |
InChI: | InChI=1S/C4H11NO2S.ClH/c1-8(6,7)4-2-3-5;/h2-5H2,1H3;1H |
InChI Key: | VJABSSGXEWXCLY-UHFFFAOYSA-N |
LogP: | 0.00000 |
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 |
WO-2021050612-A1 | Compositions and methods for the treatment of respiratory syncytial virus | 20190909 |
WO-2020252396-A1 | Compositions and methods for the treatment of respiratory syncytial virus | 20190613 |
WO-2020014332-A1 | Adenosine receptor binding compounds | 20180710 |
CN-112423758-A | Adenosine receptor binding compounds | 20180710 |
EP-3820474-A1 | Adenosine receptor binding compounds | 20180710 |
Complexity: | 133 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.0277275 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.0277275 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 68.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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