4-Isobutylpyridine hydrochloride - CAS 1049728-62-2
Catalog: |
BB001533 |
Product Name: |
4-Isobutylpyridine hydrochloride |
CAS: |
1049728-62-2 |
Synonyms: |
4-(2-methylpropyl)pyridine;hydrochloride |
IUPAC Name: | 4-(2-methylpropyl)pyridine;hydrochloride |
Description: | 4-Isobutylpyridine hydrochloride (CAS# 1049728-62-2 ) is a useful research chemical. |
Molecular Weight: | 171.67 |
Molecular Formula: | C9H14ClN |
Canonical SMILES: | CC(C)CC1=CC=NC=C1.Cl |
InChI: | InChI=1S/C9H13N.ClH/c1-8(2)7-9-3-5-10-6-4-9;/h3-6,8H,7H2,1-2H3;1H |
InChI Key: | KMABXTSPDGNDIA-UHFFFAOYSA-N |
LogP: | 3.08210 |
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: | 82.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.0814771 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.0814771 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 12.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Pyridines
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