1-Boc-4-(trifluoromethyl)piperidine-4-carboxylic Acid - CAS 495415-51-5
Catalog:
BB026725
Product Name:
1-Boc-4-(trifluoromethyl)piperidine-4-carboxylic Acid
CAS:
495415-51-5
Synonyms:
1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-(trifluoromethyl)-4-piperidinecarboxylic acid; 1-(tert-Butoxycarbonyl)-4-(trifluoromethyl)piperidine-4-carboxylic Acid; 4-trifluoromethylpiperidine-1,4-dicarboxylic acid mono-tert-butyl ester
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BB026725
500 mg
$998
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IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(trifluoromethyl)piperidine-4-carboxylic acid
Description: 1-Boc-4-(trifluoromethyl)piperidine-4-carboxylic Acid is a useful research chemical.
Molecular Weight: 297.27
Molecular Formula: C12H18F3NO4
Canonical SMILES: CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)C(F)(F)F
InChI: InChI=1S/C12H18F3NO4/c1-10(2,3)20-9(19)16-6-4-11(5-7-16,8(17)18)12(13,14)15/h4-7H2,1-3H3,(H,17,18)
InChI Key: NECZIICXICWRHJ-UHFFFAOYSA-N
Boiling Point: 347.4±42.0 °C at 760 mmHg
Purity: 95%
Density: 1.3±0.1 g/cm3
LogP: 2.58850
GHS Hazard Statement: H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement: P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word: Warning
Publication Number Title Priority Date
US-2020109141-A1 Amino acid compounds and methods of use 20181008
CN-113195053-A Amino acid compounds and methods of use 20181008
KR-20210101205-A Amino Acid Compounds and Methods of Use 20181008
US-2020123151-A1 Amino acid compounds with unbranched linkers and methods of use 20180627
CN-112689507-A Amino acid compounds having unbranched linkers and methods of use thereof 20180627
Complexity: 393
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 297.11879254
Formal Charge: 0
Heavy Atom Count: 20
Hydrogen Bond Acceptor Count: 7
Hydrogen Bond Donor Count: 1
Isotope Atom Count: 0
Monoisotopic Mass: 297.11879254
Rotatable Bond Count: 3
Topological Polar Surface Area: 66.8 Å2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 2.1
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