3-(Boc-amino)-4-methylpyrrolidine - CAS 107610-92-4
Catalog: |
BB002108 |
Product Name: |
3-(Boc-amino)-4-methylpyrrolidine |
CAS: |
107610-92-4 |
Synonyms: |
N-(4-methyl-3-pyrrolidinyl)carbamic acid tert-butyl ester; tert-butyl N-(4-methylpyrrolidin-3-yl)carbamate |
IUPAC Name: | tert-butyl N-(4-methylpyrrolidin-3-yl)carbamate |
Description: | 3-(Boc-amino)-4-methylpyrrolidine (CAS# 107610-92-4) is a useful research chemical. |
Molecular Weight: | 200.28 |
Molecular Formula: | C10H20N2O2 |
Canonical SMILES: | CC1CNCC1NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C10H20N2O2/c1-7-5-11-6-8(7)12-9(13)14-10(2,3)4/h7-8,11H,5-6H2,1-4H3,(H,12,13) |
InChI Key: | BKITXDSDJGOXPN-UHFFFAOYSA-N |
LogP: | 1.65220 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020308145-A1 | Benzimidazole derivatives and their uses | 20171019 |
AU-2018302026-A1 | TLR7/8 antagonists and uses thereof | 20170718 |
CN-110944990-A | TLR7/8 antagonists and uses thereof | 20170718 |
EP-3655401-A1 | Tlr7/8 antagonists and uses thereof | 20170718 |
US-2019023687-A1 | Tlr7/8 antagonists and uses thereof | 20170718 |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.152477885 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.152477885 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 50.4 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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