2-Amino-1-butanol - CAS 96-20-8
Catalog: |
BB041956 |
Product Name: |
2-Amino-1-butanol |
CAS: |
96-20-8 |
Synonyms: |
2-aminobutan-1-ol |
IUPAC Name: | 2-aminobutan-1-ol |
Description: | 2-Amino-1-butanol (CAS# 96-20-8) is used in the preparation of CDK inhibitors. |
Molecular Weight: | 89.14 |
Molecular Formula: | C4H11NO |
Canonical SMILES: | CCC(CO)N |
InChI: | InChI=1S/C4H11NO/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3 |
InChI Key: | JCBPETKZIGVZRE-UHFFFAOYSA-N |
Boiling Point: | 176-178 °C |
Density: | 0.944 g/cm3 |
Appearance: | Liquid |
Storage: | Keep in dark place, Inert atmosphere, Room temperature |
MDL: | MFCD00008095 |
LogP: | 0.41630 |
Vapor Pressure: | 0.15 [mmHg] |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22508362 | 20120501 | Pairwise interaction enthalpies of enantiomers of β-amino alcohols in DMSO + H2O mixtures at 298.15 K | Chirality |
22154833 | 20120201 | Synthesis and in\xa0vitro antimycobacterial activity of compounds derived from (R)- and (S)-2-amino-1-butanol - The crucial role of the configuration | European journal of medicinal chemistry |
21587869 | 20100616 | rac-N-[Hy-droxy(4-pyrid-yl)meth-yl]picolinamide: a hemiamidal | Acta crystallographica. Section E, Structure reports online |
19845508 | 20091214 | Comparison of the cellular and biochemical properties of Plasmodium falciparum choline and ethanolamine kinases | The Biochemical journal |
18690668 | 20080901 | Exciton coupling circular dichroism of an allylic N-imidazolyl group in amaranzole A, a marine natural product from Phorbas amaranthus | Chirality |
Complexity: | 30.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 89.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 89.084063974 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.2 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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