(3S,4R)-1-Boc-3-amino-4-fluoropyrrolidine - CAS 1174020-30-4
Catalog: |
BB003934 |
Product Name: |
(3S,4R)-1-Boc-3-amino-4-fluoropyrrolidine |
CAS: |
1174020-30-4 |
Synonyms: |
(3S,4R)-3-amino-4-fluoro-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl (3S,4R)-3-amino-4-fluoropyrrolidine-1-carboxylate |
IUPAC Name: | tert-butyl (3S,4R)-3-amino-4-fluoropyrrolidine-1-carboxylate |
Description: | (3S,4R)-1-Boc-3-amino-4-fluoropyrrolidine (CAS# 1174020-30-4) is a useful research chemical compound. |
Molecular Weight: | 204.24 |
Molecular Formula: | C9H17FN2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC(C(C1)F)N |
InChI: | InChI=1S/C9H17FN2O2/c1-9(2,3)14-8(13)12-4-6(10)7(11)5-12/h6-7H,4-5,11H2,1-3H3/t6-,7+/m1/s1 |
InChI Key: | DXQXHFOCKKIWJL-RQJHMYQMSA-N |
LogP: | 1.54070 |
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 |
WO-2021099406-A1 | Spiro(isobenzofuranazetidine) compounds for the treatment of autoimmune disease | 20191120 |
WO-2021094301-A1 | Hydropyrazino[1,2-b]isoquinoline compounds for the treatment of autoimmune disease | 20191112 |
WO-2021048200-A1 | Novel quinoline compounds for the treatment of autoimmune disease | 20190910 |
WO-2020207991-A1 | Hexahydro-1h-pyrazino[1,2-a]pyrazine compounds for the treatment of autoimmune disease | 20190409 |
TW-202029960-A | Novel indazole compound or its salt | 20181026 |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.12740595 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.12740595 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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Amines and Anilines
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