Methyl 1-Boc-pyrrolidine-3-carboxylate - CAS 122684-33-7
Catalog: |
BB044190 |
Product Name: |
Methyl 1-Boc-pyrrolidine-3-carboxylate |
CAS: |
122684-33-7 |
Synonyms: |
1-tert-butyl 3-methyl pyrrolidine-1,3-dicarboxylate |
IUPAC Name: | 1-O-tert-butyl 3-O-methyl pyrrolidine-1,3-dicarboxylate |
Description: | Methyl 1-Boc-pyrrolidine-3-carboxylate (CAS# 122684-33-7 ) is a useful research chemical. |
Molecular Weight: | 229.27 |
Molecular Formula: | C11H19NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(C1)C(=O)OC |
InChI: | InChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-6-5-8(7-12)9(13)15-4/h8H,5-7H2,1-4H3 |
InChI Key: | LIWFYAVKYUQMRE-UHFFFAOYSA-N |
MDL: | MFCD04038683 |
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 (50%): 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: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.13140809 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.13140809 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55.8 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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Carbonyl Compounds
Pyrrolidines
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