1-Boc-4-piperidinamidine Acetate - CAS 1082950-23-9
Catalog: |
BB002235 |
Product Name: |
1-Boc-4-piperidinamidine Acetate |
CAS: |
1082950-23-9 |
Synonyms: |
acetic acid;4-carbamimidoyl-1-piperidinecarboxylic acid tert-butyl ester; acetic acid;tert-butyl 4-carbamimidoylpiperidine-1-carboxylate |
IUPAC Name: | acetic acid;tert-butyl 4-carbamimidoylpiperidine-1-carboxylate |
Description: | 1-Boc-4-piperidinamidine Acetate (CAS# 1082950-23-9) is a useful research chemical. |
Molecular Weight: | 287.36 |
Molecular Formula: | C13H25N3O4 |
Canonical SMILES: | CC(=O)O.CC(C)(C)OC(=O)N1CCC(CC1)C(=N)N |
InChI: | InChI=1S/C11H21N3O2.C2H4O2/c1-11(2,3)16-10(15)14-6-4-8(5-7-14)9(12)13;1-2(3)4/h8H,4-7H2,1-3H3,(H3,12,13);1H3,(H,3,4) |
InChI Key: | BXAWPZRUJPOEJT-UHFFFAOYSA-N |
LogP: | 2.39830 |
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 |
AU-2008251692-A1 | P70 S6 kinase inhibitors | 20070511 |
AU-2008251692-B2 | P70 S6 kinase inhibitors | 20070511 |
CA-2687265-C | P70 s6 kinase inhibitors | 20070511 |
EP-2148880-A1 | P70 s6 kinase inhibitors | 20070511 |
EP-2148880-B1 | P70 s6 kinase inhibitors | 20070511 |
Complexity: | 307 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 287.18450629 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 287.18450629 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 117 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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