(S)-3-(Hydroxymethyl)morpholine Hydrochloride - CAS 218594-79-7
Catalog: |
BB017174 |
Product Name: |
(S)-3-(Hydroxymethyl)morpholine Hydrochloride |
CAS: |
218594-79-7 |
Synonyms: |
[(3S)-3-morpholinyl]methanol;hydrochloride; [(3S)-morpholin-3-yl]methanol;hydrochloride |
IUPAC Name: | [(3S)-morpholin-3-yl]methanol;hydrochloride |
Description: | (S)-3-(Hydroxymethyl)morpholine Hydrochloride (CAS# 218594-79-7) is a useful research chemical. |
Molecular Weight: | 153.61 |
Molecular Formula: | C5H12ClNO2 |
Canonical SMILES: | C1COCC(N1)CO.Cl |
InChI: | InChI=1S/C5H11NO2.ClH/c7-3-5-4-8-2-1-6-5;/h5-7H,1-4H2;1H/t5-;/m0./s1 |
InChI Key: | WFLUDHYXVXRFLY-JEDNCBNOSA-N |
Boiling Point: | 218.3 ℃ at 760 mmHg |
Density: | 1.045 g/cm3 |
MDL: | MFCD12547468 |
LogP: | 0.09790 |
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 |
US-10683285-B2 | Modulators of hemoglobin | 20181119 |
US-2020157085-A1 | Modulators of hemoglobin | 20181119 |
WO-2020106642-A1 | 2-formyl-3-hydroxyphenyloxymethyl compounds capable of modulating hemoglobin | 20181119 |
TW-202039460-A | Modulators of hemoglobin | 20181119 |
US-2021047309-A1 | Modulators of hemoglobin | 20181119 |
Complexity: | 67.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.0556563 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.0556563 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 41.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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