(1-Isobutyl-1H-pyrazol-3-yl)methanol - CAS 1823829-50-0
Catalog: |
BB052436 |
Product Name: |
(1-Isobutyl-1H-pyrazol-3-yl)methanol |
CAS: |
1823829-50-0 |
Synonyms: |
[1-(2-Methylpropyl)-1H-pyrazol-3-yl]methanol |
IUPAC Name: | [1-(2-methylpropyl)pyrazol-3-yl]methanol |
Molecular Weight: | 154.21 |
Molecular Formula: | C8H14N2O |
Canonical SMILES: | CC(C)CN1C=CC(=N1)CO |
InChI: | InChI=1S/C8H14N2O/c1-7(2)5-10-4-3-8(6-11)9-10/h3-4,7,11H,5-6H2,1-2H3 |
InChI Key: | LOPILJYIXPPYKY-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 117 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.110613074 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.110613074 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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Related Functional Groups
Alcohols and Derivatives
Pyrazoles
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