tert-Butyl 3-(Azetidin-3-yl)pyrrolidine-1-carboxylate (>85%) - CAS 1314771-82-8
Catalog: |
BB057463 |
Product Name: |
tert-Butyl 3-(Azetidin-3-yl)pyrrolidine-1-carboxylate (>85%) |
CAS: |
1314771-82-8 |
Synonyms: |
1,1-Dimethylethyl 3-(3-azetidinyl)-1-pyrrolidinecarboxylate |
IUPAC Name: | tert-butyl 3-(azetidin-3-yl)pyrrolidine-1-carboxylate |
Description: | tert-Butyl 3-(Azetidin-3-yl)pyrrolidine-1-carboxylate (>85%) is useful research chemical compound. |
Molecular Weight: | 226.32 |
Molecular Formula: | C12H22N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(C1)C2CNC2 |
InChI: | InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-5-4-9(8-14)10-6-13-7-10/h9-10,13H,4-8H2,1-3H3 |
InChI Key: | VJSCBCZNNHYGQH-UHFFFAOYSA-N |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | Colourless to Off-White Oil to Thick Oil |
Storage: | 4°C, Inert atmosphere |
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 |
Complexity: | 269 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.168127949 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.168127949 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 41.6Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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