4-Boc-morpholine-3-acetic Acid - CAS 859155-89-8
Catalog: |
BB037764 |
Product Name: |
4-Boc-morpholine-3-acetic Acid |
CAS: |
859155-89-8 |
Synonyms: |
2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-morpholinyl]acetic acid; 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid |
IUPAC Name: | 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid |
Description: | 4-Boc-morpholine-3-acetic Acid (CAS# 859155-89-8) is a useful research chemical. |
Molecular Weight: | 245.27 |
Molecular Formula: | C11H19NO5 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCOCC1CC(=O)O |
InChI: | InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-4-5-16-7-8(12)6-9(13)14/h8H,4-7H2,1-3H3,(H,13,14) |
InChI Key: | QVOPNRRQHPWQMF-UHFFFAOYSA-N |
Boiling Point: | 388.244 °C at 760 mmHg |
Density: | 1.18 g/cm3 |
MDL: | MFCD04114891 |
LogP: | 1.03490 |
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 |
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Complexity: | 297 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.12632271 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.12632271 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 76.1 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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