tert-Butyl 3-(iodomethyl)pyrrolidine-1-carboxylate - CAS 479622-36-1
Catalog: |
BB026442 |
Product Name: |
tert-Butyl 3-(iodomethyl)pyrrolidine-1-carboxylate |
CAS: |
479622-36-1 |
Synonyms: |
tert-butyl 3-(iodomethyl)pyrrolidine-1-carboxylate |
IUPAC Name: | tert-butyl 3-(iodomethyl)pyrrolidine-1-carboxylate |
Description: | tert-Butyl 3-(iodomethyl)pyrrolidine-1-carboxylate (CAS# 479622-36-1) is a useful research chemical. |
Molecular Weight: | 311.16 |
Molecular Formula: | C10H18INO2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(C1)CI |
InChI: | InChI=1S/C10H18INO2/c1-10(2,3)14-9(13)12-5-4-8(6-11)7-12/h8H,4-7H2,1-3H3 |
InChI Key: | DNUFVBGZKFHSDQ-UHFFFAOYSA-N |
Boiling Point: | 319 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.504 g/cm3 |
Appearance: | Solid |
MDL: | MFCD08059333 |
LogP: | 2.61630 |
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 |
EP-3617206-A1 | Integrin inhibitors | 20180829 |
US-2020071322-A1 | Inhibiting (alpha-v)(beta-6) integrin | 20180829 |
US-2020354359-A1 | Inhibiting (alpha-v)(beta-6) integrin | 20180829 |
US-2020385384-A1 | Inhibiting (alpha-v)(beta-6) integrin | 20180829 |
TW-202035400-A | Inhibiting αvβ6 integrin | 20180829 |
Complexity: | 213 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 311.03823 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 311.03823 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 29.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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Related Functional Groups
Pyrrolidines
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