Boc-DL-Prolinol - CAS 170491-63-1
Catalog: |
BB012652 |
Product Name: |
Boc-DL-Prolinol |
CAS: |
170491-63-1 |
Synonyms: |
tert-butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate; 1-Boc-(2-hydroxymethyl)pyrrolidine; N-Boc-2-pyrrolidinemethanol |
IUPAC Name: | tert-butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate |
Description: | Boc-DL-Prolinol (CAS# 170491-63-1) is used to prepare 1,3-thiazolidin-2-imines derivatives as inhibitors of nitric oxide synthase. |
Molecular Weight: | 201.3 |
Molecular Formula: | C10H19NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCCC1CO |
InChI: | InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h8,12H,4-7H2,1-3H3 |
InChI Key: | BFFLLBPMZCIGRM-UHFFFAOYSA-N |
Melting Point: | 52-56 ℃ |
Appearance: | White crystalline powder |
Storage: | Store at 2-8 ℃ |
MDL: | MFCD01456556 |
LogP: | 1.31610 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111875620-A | Pyrazolopyrimidine macrocyclic derivative and application thereof | 20200928 |
CN-111875620-B | Pyrazolopyrimidine macrocyclic derivative and application thereof | 20200928 |
WO-2021139595-A1 | RORγT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 20200106 |
WO-2021139599-A1 | RORγT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 20200106 |
WO-2021068898-A1 | Novel kras g12c protein inhibitor, preparation method therefor, and use thereof | 20191010 |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.13649347 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.13649347 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.8 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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