(E)-2-(4-Boc-piperazin-1-yl)-4-cyclohexyl-3-butenoic acid - CAS 890090-63-8
Catalog: |
BB039319 |
Product Name: |
(E)-2-(4-Boc-piperazin-1-yl)-4-cyclohexyl-3-butenoic acid |
CAS: |
890090-63-8 |
Synonyms: |
(E)-4-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]but-3-enoic acid |
IUPAC Name: | (E)-4-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]but-3-enoic acid |
Description: | (E)-2-(4-Boc-piperazin-1-yl)-4-cyclohexyl-3-butenoic acid (CAS# 890090-63-8 ) is a useful research chemical. |
Molecular Weight: | 352.47 |
Molecular Formula: | C19H32N2O4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCN(CC1)C(C=CC2CCCCC2)C(=O)O |
InChI: | InChI=1S/C19H32N2O4/c1-19(2,3)25-18(24)21-13-11-20(12-14-21)16(17(22)23)10-9-15-7-5-4-6-8-15/h9-10,15-16H,4-8,11-14H2,1-3H3,(H,22,23)/b10-9+ |
InChI Key: | ALAMTNODLVYHHG-MDZDMXLPSA-N |
LogP: | 3.00460 |
GHS Hazard Statement: | 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 484 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 352.23620751 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 352.23620751 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 70.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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