1-Boc-3-fluoropiperidine-3-carboxylic acid - CAS 934342-39-9
Catalog: |
BB043200 |
Product Name: |
1-Boc-3-fluoropiperidine-3-carboxylic acid |
CAS: |
934342-39-9 |
Synonyms: |
1-(Tert-butoxycarbonyl)-3-fluoropiperidine-3-carboxylic acid |
IUPAC Name: | 3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid |
Description: | 1-Boc-3-fluoropiperidine-3-carboxylic acid (CAS# 934342-39-9 ) is a useful research chemical. |
Molecular Weight: | 247.26 |
Molecular Formula: | C11H18FNO4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCCC(C1)(C(=O)O)F |
InChI: | InChI=1S/C11H18FNO4/c1-10(2,3)17-9(16)13-6-4-5-11(12,7-13)8(14)15/h4-7H2,1-3H3,(H,14,15) |
InChI Key: | BUOPUFGUVSXFRG-UHFFFAOYSA-N |
Purity: | 97.0 % |
MDL: | MFCD11847195 |
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: | 326 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.12198622 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.12198622 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.8 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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