(R)-(+)-Tetrahydro-3-furylamine p-Toluenesulfonate Salt - CAS 111769-27-8
Catalog: |
BB002798 |
Product Name: |
(R)-(+)-Tetrahydro-3-furylamine p-Toluenesulfonate Salt |
CAS: |
111769-27-8 |
Synonyms: |
4-methylbenzenesulfonic acid;(3R)-3-oxolanamine; 4-methylbenzenesulfonic acid;(3R)-oxolan-3-amine |
IUPAC Name: | 4-methylbenzenesulfonic acid;(3R)-oxolan-3-amine |
Description: | (R)-(+)-Tetrahydro-3-furylamine p-Toluenesulfonate Salt (CAS# 111769-27-8) is a useful research chemical. |
Molecular Weight: | 259.32 |
Molecular Formula: | C11H17NO4S |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)O.C1COCC1N |
InChI: | InChI=1S/C7H8O3S.C4H9NO/c1-6-2-4-7(5-3-6)11(8,9)10;5-4-1-2-6-3-4/h2-5H,1H3,(H,8,9,10);4H,1-3,5H2/t;4-/m.1/s1 |
InChI Key: | BZXPLADBSZWDIH-FZSMXKCYSA-N |
Boiling Point: | 452.8 °C at 760 mmHg |
MDL: | MFCD00040622 |
LogP: | 2.75680 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3800188-A1 | Substituted pyrazolopyrimidines as irak4 inhibitors | 20191002 |
WO-2021064077-A1 | Substituted pyrazolopyrimidines as irak4 inhibitors | 20191002 |
TW-201819366-A | Dimercaptoglycerol thiol transferase 2 inhibitor | 20160819 |
TW-I688560-B | Diacylglycerol acyltransferase 2 inhibitors | 20160819 |
CN-109641875-B | Diacylglycerol acyltransferase 2 inhibitors | 20160819 |
Complexity: | 253 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.08782920 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.08782920 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 98 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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