(S)-N-Boc-2-(hydroxymethyl)morpholine - CAS 135065-76-8
Catalog: |
BB008066 |
Product Name: |
(S)-N-Boc-2-(hydroxymethyl)morpholine |
CAS: |
135065-76-8 |
Synonyms: |
(2S)-2-(hydroxymethyl)-4-morpholinecarboxylic acid tert-butyl ester; tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate |
IUPAC Name: | tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate |
Description: | (S)-N-Boc-2-(hydroxymethyl)morpholine (CAS# 135065-76-8) is a useful research chemical. |
Molecular Weight: | 217.26 |
Molecular Formula: | C10H19NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCOC(C1)CO |
InChI: | InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11-4-5-14-8(6-11)7-12/h8,12H,4-7H2,1-3H3/t8-/m0/s1 |
InChI Key: | FJYBLMJHXRWDAQ-QMMMGPOBSA-N |
Boiling Point: | 321 °C |
Density: | 1.118 g/cm3 |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD09260606 |
LogP: | 0.55250 |
GHS Hazard Statement: | H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
18363360 | 20080502 | Concise synthesis of (S)-N-BOC-2-hydroxymethylmorpholine and (S)-N-BOC-morpholine-2-carboxylic acid | The Journal of organic chemistry |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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