1-(Hydroxymethyl)cyclopropaneacetonitrile - CAS 152922-71-9
Catalog: |
BB010826 |
Product Name: |
1-(Hydroxymethyl)cyclopropaneacetonitrile |
CAS: |
152922-71-9 |
Synonyms: |
2-[1-(hydroxymethyl)cyclopropyl]acetonitrile; 2-[1-(hydroxymethyl)cyclopropyl]acetonitrile |
IUPAC Name: | 2-[1-(hydroxymethyl)cyclopropyl]acetonitrile |
Description: | 1-(Hydroxymethyl)cyclopropaneacetonitrile (CAS# 152922-71-9) is a reactant used in the preparation of benzothiazoles and thiazoles substituted benzyl alcohols as potent LTD4 antagonists. |
Molecular Weight: | 111.14 |
Molecular Formula: | C6H9NO |
Canonical SMILES: | C1CC1(CC#N)CO |
InChI: | InChI=1S/C6H9NO/c7-4-3-6(5-8)1-2-6/h8H,1-3,5H2 |
InChI Key: | WYOMLUMUVAPMKE-UHFFFAOYSA-N |
Boiling Point: | 245.1 °C at 760 mmHg |
Density: | 1.098 g/cm3 |
Appearance: | Colorless to light yellow liquid |
MDL: | MFCD08235273 |
LogP: | 0.67258 |
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 |
Publication Number | Title | Priority Date |
CN-111217834-A | Nitroxide derivatives of ROCK kinase inhibitors | 20200221 |
AU-2020403705-A1 | Nitroxide derivative of rock kinase inhibitor | 20200221 |
EP-3901156-A1 | Nitrooxyderivative of rock kinase inhibitor | 20200221 |
WO-2021164351-A1 | Nitrooxyderivative of rock kinase inhibitor | 20200221 |
CN-111072475-A | Synthesis method and application of 1-hydroxymethyl cyclopropyl acetic acid | 20191220 |
Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 111.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 111.068413911 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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