3-Hydroxybutyronitrile - CAS 4368-06-3
Catalog: |
BB025446 |
Product Name: |
3-Hydroxybutyronitrile |
CAS: |
4368-06-3 |
Synonyms: |
3-hydroxybutanenitrile |
IUPAC Name: | 3-hydroxybutanenitrile |
Description: | 3-Hydroxybutyronitrile (CAS# 4368-06-3) is an intermediate used to prepare 2-Methylazetidine which is a derivative of Azetidine (A813000), a useful building block in the synthesis of polypeptides and other nitrogen containing compounds with potential biological properties. |
Molecular Weight: | 85.10 |
Molecular Formula: | C4H7NO |
Canonical SMILES: | CC(CC#N)O |
InChI: | InChI=1S/C4H7NO/c1-4(6)2-3-5/h4,6H,2H2,1H3 |
InChI Key: | BYJAJQGCMSBKPB-UHFFFAOYSA-N |
LogP: | 0.28088 |
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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PMID | Publication Date | Title | Journal |
22737103 | 20120501 | tert-Butyl 6-amino-5-cyano-2-(2-meth-oxy-eth-yl)nicotinate | Acta crystallographica. Section E, Structure reports online |
21974828 | 20111005 | Evolution of vacuolar proton pyrophosphatase domains and volutin granules: clues into the early evolutionary origin of the acidocalcisome | Biology direct |
14583275 | 20031101 | UV solvatochromic shifts of 4-hydroxy-benzophenone and 2,4-dihydroxy-benzophenone in ethanol-acetonitrile mixtures | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 70.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 85.052763847 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 85.052763847 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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