tert-Butyl 4-Nitropiperidine-1-carboxylate - CAS 1228630-89-4
Catalog: |
BB057666 |
Product Name: |
tert-Butyl 4-Nitropiperidine-1-carboxylate |
CAS: |
1228630-89-4 |
Synonyms: |
tert-butyl 4-nitropiperidine-1-carboxylate; 4-Nitro-piperidine-1-carboxylic acid tert-Butyl ester; 1-Piperidinecarboxylic acid, 4-nitro-, 1,1-dimethylethyl ester; 1-N-Boc-4-nitropiperidine; tert-Butyl4-nitropiperidine-1-carboxylate; N-Boc-4-nitropiperidine |
IUPAC Name: | tert-butyl 4-nitropiperidine-1-carboxylate |
Description: | TERT-BUTYL 4-NITROPIPERIDINE-1-CARBOXYLATE (cas# 1228630-89-4) is a useful research chemical. |
Molecular Weight: | 230.26 |
Molecular Formula: | C10H18N2O4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(CC1)[N+](=O)[O-] |
InChI: | InChI=1S/C10H18N2O4/c1-10(2,3)16-9(13)11-6-4-8(5-7-11)12(14)15/h8H,4-7H2,1-3H3 |
InChI Key: | XASYUHHGRZOCKH-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
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 |
Publication Number | Title | Priority Date |
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US-2014371238-A1 | Compounds and methods for the treatment of cystic fibrosis | 20130313 |
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WO-2014160478-A1 | Compounds and methods for the treatment of cystic fibrosis | 20130313 |
CN-103130708-A | Preparing method of N-t-butyloxycarboryl-4-nitro piperidine | 20111201 |
CN-103130708-B | A kind of preparation method of N-tertbutyloxycarbonyl-4-nitro piperidines | 20111201 |
CN-102464605-A | Preparation method of 4-nitro-piperidine derivative | 20101116 |
Complexity: | 272 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.12665706 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.12665706 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 75.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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