(S)-N-Boc-3-(Hydroxymethyl)morpholine - CAS 714971-28-5
Catalog: |
BB034402 |
Product Name: |
(S)-N-Boc-3-(Hydroxymethyl)morpholine |
CAS: |
714971-28-5 |
Synonyms: |
(3S)-3-(hydroxymethyl)-4-morpholinecarboxylic acid tert-butyl ester; tert-butyl (3S)-3-(hydroxymethyl)morpholine-4-carboxylate |
IUPAC Name: | tert-butyl (3S)-3-(hydroxymethyl)morpholine-4-carboxylate |
Description: | An intermediate of BMS-599626, a selective and orally efficacious inhibitor of human epidermal growth factor receptor 1 and 2 kinases. |
Molecular Weight: | 217.26 |
Molecular Formula: | C10H19NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCOCC1CO |
InChI: | InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11-4-5-14-7-8(11)6-12/h8,12H,4-7H2,1-3H3/t8-/m0/s1 |
InChI Key: | AIQSXVGBMCJQAG-QMMMGPOBSA-N |
Boiling Point: | 320.7 ℃ at 760 mmHg |
Density: | 1.118 g/cm3 |
Appearance: | White powder |
MDL: | MFCD06799478 |
LogP: | 0.55250 |
Publication Number | Title | Priority Date |
US-2021269400-A1 | Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors | 20200224 |
WO-2021173111-A1 | Potent human neuronal nitric oxide synthase inhibitors | 20200224 |
WO-2021043208-A1 | 3, 5-disubstituted pyrazole compounds as kinase inhibitors and uses thereof | 20190906 |
WO-2020216781-A1 | 4h-pyrrolo[3,2-c]pyridin-4-one compounds | 20190424 |
TW-202106683-A | 4h-pyrrolo[3,2-c]pyridin-4-one compounds | 20190424 |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.13140809 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.13140809 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 59 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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