1-Cbz-3-(hydroxymethyl)pyrrolidine - CAS 315718-05-9
Catalog: |
BB020977 |
Product Name: |
1-Cbz-3-(hydroxymethyl)pyrrolidine |
CAS: |
315718-05-9 |
Synonyms: |
3-(hydroxymethyl)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester; benzyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate |
IUPAC Name: | benzyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate |
Description: | 1-Cbz-3-(hydroxymethyl)pyrrolidine (CAS# 315718-05-9) 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 |
InChI Key: | ZRMWRJLLAVAFQP-UHFFFAOYSA-N |
Boiling Point: | 382 °C at 760 mmHg |
Density: | 1.196 g/cm3 |
LogP: | 1.57530 |
Publication Number | Title | Priority Date |
WO-2018011681-A1 | Novel pyrimidine carboxamides as inhibitors of vanin-1 enzyme | 20160714 |
US-2017298060-A1 | Pyrrolopyridine retinoic acid receptor-related orphan receptor modulators and uses thereof | 20160418 |
WO-2017184549-A1 | Pyrrolopyridine retinoic acid receptor-related orphan receptor modulators and uses thereof | 20160418 |
WO-2017162572-A1 | Naphthyridines as integrin antagonists | 20160321 |
EP-3172195-A1 | Sulfonamide retinoic acid receptor-related orphan receptor modulators and uses thereof | 20140725 |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
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: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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