meso-2,2'-Bipyrrolidine sesquioxalate salt - CAS 1217449-15-4
Catalog: |
BB005250 |
Product Name: |
meso-2,2'-Bipyrrolidine sesquioxalate salt |
CAS: |
1217449-15-4 |
Synonyms: |
oxalic acid;(2R)-2-[(2S)-pyrrolidin-2-yl]pyrrolidine |
IUPAC Name: | oxalic acid;(2R)-2-[(2S)-pyrrolidin-2-yl]pyrrolidine |
Description: | meso-2,2'-Bipyrrolidine sesquioxalate salt (CAS# 1217449-15-4 ) is a useful research chemical. |
Molecular Weight: | 275.28 |
Molecular Formula: | C8H16N2 · C3H3O6 |
Canonical SMILES: | C1CC(NC1)C2CCCN2.C1CC(NC1)C2CCCN2.C(=O)(C(=O)O)O |
InChI: | InChI=1S/2C8H16N2.C2H2O4/c2*1-3-7(9-5-1)8-4-2-6-10-8;3-1(4)2(5)6/h2*7-10H,1-6H2;(H,3,4)(H,5,6)/t2*7-,8+; |
InChI Key: | VSBQBHKEKBYWIP-BMROQPAASA-N |
Purity: | 95 % |
LogP: | 1.45160 |
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 |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 4 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 370.25800558 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 6 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 370.25800558 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 123 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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