Boc-Isoleucinol - CAS 106946-74-1
Catalog: |
BB001949 |
Product Name: |
Boc-Isoleucinol |
CAS: |
106946-74-1 |
Synonyms: |
Boc-L-isoleucinol; N-Boc-L-isolucinole; N-Boc-(2S,3S)-(-)-2-Amino-3-methyl-1-pentanol |
IUPAC Name: | tert-butyl N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]carbamate |
Description: | Boc-Isoleucinol (CAS# 106946-74-1) is a useful research chemical compound. |
Molecular Weight: | 217.30 |
Molecular Formula: | C11H23NO3 |
Canonical SMILES: | CCC(C)C(CO)NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C11H23NO3/c1-6-8(2)9(7-13)12-10(14)15-11(3,4)5/h8-9,13H,6-7H2,1-5H3,(H,12,14)/t8-,9+/m0/s1 |
InChI Key: | BPLDQMXXYMKQPW-DTWKUNHWSA-N |
Boiling Point: | 121-126 ℃ at 0.6 mmHg |
Melting Point: | 67-69 ℃ |
Purity: | ≥ 98 % (Assay) |
Density: | 0.984 g/cm3 |
Appearance: | Colorless liquid |
Storage: | Store at 2-8 ℃ |
MDL: | MFCD00235929 |
LogP: | 2.30900 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-2486014-A1 | Modulators of g protein-coupled receptor 88 | 20091009 |
EP-2486014-B1 | Modulators of g protein-coupled receptor 88 | 20091009 |
ES-2430946-T3 | G 88 protein-coupled receptor modulators | 20091009 |
JP-2013507371-A | Modulator of G protein coupled receptor 88 | 20091009 |
US-2011251204-A1 | Modulators of G Protein-Coupled Receptor 88 | 20091009 |
Complexity: | 199 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.16779360 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.16779360 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 58.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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