(S)-1-Cbz-3-(hydroxymethyl)pyrrolidine - CAS 124391-76-0
Catalog: |
BB005885 |
Product Name: |
(S)-1-Cbz-3-(hydroxymethyl)pyrrolidine |
CAS: |
124391-76-0 |
Synonyms: |
(3S)-3-(hydroxymethyl)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester; benzyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate |
IUPAC Name: | benzyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate |
Description: | (S)-1-Cbz-3-(hydroxymethyl)pyrrolidine (CAS# 124391-76-0 ) is a useful research chemical. |
Molecular Weight: | 235.28 |
Molecular Formula: | C13H17NO3 |
Canonical SMILES: | C1CN(CC1CO)C(=O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C13H17NO3/c15-9-12-6-7-14(8-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2/t12-/m0/s1 |
InChI Key: | ZRMWRJLLAVAFQP-LBPRGKRZSA-N |
Boiling Point: | 184.809 °C |
Density: | 1.196 g/cm3 |
Appearance: | Pale-yellow to yellow-brown liquid |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD06858680 |
LogP: | 1.57530 |
Publication Number | Title | Priority Date |
WO-2020150385-A1 | Antimicrobial compounds and methods | 20190116 |
JP-2018531918-A | Hepatitis B virus core protein modulator | 20150915 |
KR-20180053363-A | Hepatitis B core protein modulator | 20150915 |
TW-201718570-A | Hepatitis B core protein regulator | 20150915 |
US-10377748-B2 | Hepatitis B core protein modulators | 20150915 |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.1208434 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.1208434 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 49.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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