(S)-(+)-1-Cbz-3-pyrrolidinol - CAS 100858-32-0
Catalog: |
BB000367 |
Product Name: |
(S)-(+)-1-Cbz-3-pyrrolidinol |
CAS: |
100858-32-0 |
Synonyms: |
(3S)-3-hydroxy-1-pyrrolidinecarboxylic acid (phenylmethyl) ester; benzyl (3S)-3-hydroxypyrrolidine-1-carboxylate |
IUPAC Name: | benzyl (3S)-3-hydroxypyrrolidine-1-carboxylate |
Description: | (S)-(+)-1-Cbz-3-pyrrolidinol (CAS# 100858-32-0) is a useful research chemical. |
Molecular Weight: | 221.25 |
Molecular Formula: | C12H15NO3 |
Canonical SMILES: | C1CN(CC1O)C(=O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C12H15NO3/c14-11-6-7-13(8-11)12(15)16-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2/t11-/m0/s1 |
InChI Key: | MBLJFGOKYTZKMH-NSHDSACASA-N |
Boiling Point: | 370.7 ℃ at 760 mmHg |
Purity: | ≥ 98 %, ≥ 95 % e.e. |
Density: | 1.263 g/cm3 |
MDL: | MFCD07784363 |
LogP: | 1.32770 |
GHS Hazard Statement: | H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113493628-A | Quantum dot ink and preparation method of quantum dot film | 20200318 |
JP-2021070691-A | Drugs consisting of oxo-substituted compounds | 20191025 |
WO-2020231977-A1 | Compounds for treating huntington's disease | 20190513 |
WO-2020123277-A1 | Protein kinase inhibitor prodrugs | 20181210 |
TW-201945006-A | Oxy-substituted compounds | 20180427 |
Complexity: | 238 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.10519334 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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