(S)-(-)-1-Benzyl-3-(Boc-amino)pyrrolidine - CAS 131852-53-4
Catalog: |
BB007505 |
Product Name: |
(S)-(-)-1-Benzyl-3-(Boc-amino)pyrrolidine |
CAS: |
131852-53-4 |
Synonyms: |
N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]carbamic acid tert-butyl ester; tert-butyl N-[(3S)-1-benzylpyrrolidin-3-yl]carbamate |
IUPAC Name: | tert-butyl N-[(3S)-1-benzylpyrrolidin-3-yl]carbamate |
Description: | (S)-(-)-1-Benzyl-3-(Boc-amino)pyrrolidine (CAS# 131852-53-4) is a useful research chemical compound. |
Molecular Weight: | 276.37 |
Molecular Formula: | C16H24N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1CCN(C1)CC2=CC=CC=C2 |
InChI: | InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)17-14-9-10-18(12-14)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,17,19)/t14-/m0/s1 |
InChI Key: | PHOIDJGLYWEUEK-AWEZNQCLSA-N |
Boiling Point: | 385.142 °C at 760 mmHg |
Density: | 1.089 g/cm3 |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 3.11440 |
Publication Number | Title | Priority Date |
CA-3023465-A1 | Benzenesulfonamide compounds and their use as therapeutic agents | 20160520 |
US-10246453-B2 | Benzenesulfonamide compounds and their use as therapeutic agents | 20160520 |
US-10662184-B2 | Benzenesulfonamide compounds and their use as therapeutic agents | 20160520 |
US-2017334902-A1 | Benzenesulfonamide compounds and their use as therapeutic agents | 20160520 |
US-2019194184-A1 | Benzenesulfonamide compounds and their use as therapeutic agents | 20160520 |
Complexity: | 319 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 276.183778013 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 276.183778013 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 41.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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Pyrrolidines
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