2-(1-Boc-3-pyrrolidyl)ethanamine - CAS 1048920-45-1
Catalog: |
BB001506 |
Product Name: |
2-(1-Boc-3-pyrrolidyl)ethanamine |
CAS: |
1048920-45-1 |
Synonyms: |
3-(2-aminoethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl 3-(2-aminoethyl)pyrrolidine-1-carboxylate |
IUPAC Name: | tert-butyl 3-(2-aminoethyl)pyrrolidine-1-carboxylate |
Description: | 2-(1-Boc-3-pyrrolidyl)ethanamine (CAS# 1048920-45-1) is a useful research chemical. |
Molecular Weight: | 214.30 |
Molecular Formula: | C11H22N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(C1)CCN |
InChI: | InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-5-9(8-13)4-6-12/h9H,4-8,12H2,1-3H3 |
InChI Key: | JHHBMDKAYOQBBB-UHFFFAOYSA-N |
MDL: | MFCD09759135 |
LogP: | 2.23040 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020198583-A1 | Bicyclic jak inhibitors and uses thereof | 20190327 |
AU-2018325451-A1 | Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor | 20170831 |
WO-2019046784-A1 | COMPOUNDS AND METHODS FOR MODULATION OF A2B RECEPTOR OF ADENOSINE AND A2A RECEPTOR OF ADENOSINE | 20170831 |
CN-111629728-A | Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor | 20170831 |
EP-3675856-A1 | Compounds and methods for modulating adenosine a2b receptor and adenosine a2a receptor | 20170831 |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.168127949 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.168127949 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55.6 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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Pyrrolidines
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