2-(4-Boc-piperazinyl)-2-(3-pyridinyl)acetic acid - CAS 885274-51-1
Catalog: |
BB038932 |
Product Name: |
2-(4-Boc-piperazinyl)-2-(3-pyridinyl)acetic acid |
CAS: |
885274-51-1 |
Synonyms: |
2-[4-(t-Butoxycarbonyl)piperazinyl]-2-(3-pyridinyl)acetic acid |
IUPAC Name: | 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridin-3-ylacetic acid |
Description: | 2-(4-Boc-piperazinyl)-2-(3-pyridinyl)acetic acid (CAS# 885274-51-1 ) is a useful research chemical. |
Molecular Weight: | 321.37 |
Molecular Formula: | C16H23N3O4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCN(CC1)C(C2=CN=CC=C2)C(=O)O |
InChI: | InChI=1S/C16H23N3O4/c1-16(2,3)23-15(22)19-9-7-18(8-10-19)13(14(20)21)12-5-4-6-17-11-12/h4-6,11,13H,7-10H2,1-3H3,(H,20,21) |
InChI Key: | UOZAIRMXJCRTJN-UHFFFAOYSA-N |
Purity: | 95 % |
Storage: | Store at 2-8 °C |
LogP: | 1.63580 |
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 |
Publication Number | Title | Priority Date |
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Complexity: | 428 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 321.16885622 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 321.16885622 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 83 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.1 |
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Piperazines
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