4-N-Boc-2-hydroxymethylpiperazine - CAS 301673-16-5
Catalog: |
BB020478 |
Product Name: |
4-N-Boc-2-hydroxymethylpiperazine |
CAS: |
301673-16-5 |
Synonyms: |
3-(hydroxymethyl)-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate |
IUPAC Name: | tert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate |
Description: | 4-N-Boc-2-hydroxymethylpiperazine (CAS# 301673-16-5) is a useful research chemical. |
Molecular Weight: | 216.28 |
Molecular Formula: | C10H20N2O3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCNC(C1)CO |
InChI: | InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-4-11-8(6-12)7-13/h8,11,13H,4-7H2,1-3H3 |
InChI Key: | NSILYQWHARROMG-UHFFFAOYSA-N |
Boiling Point: | 322.9 °C at 760 mmHg |
Density: | 1.085 g/cm3 |
MDL: | MFCD04115304 |
LogP: | 0.45430 |
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, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021110010-A1 | Novel pyrrole compound | 20191203 |
WO-2021083167-A1 | Substituted heterocyclic fused cyclic compound, preparation method therefor and pharmaceutical use thereof | 20191030 |
WO-2021043152-A1 | Pyrimidine derivative as wee1 inhibitor | 20190903 |
WO-2021000885-A1 | Quinazoline derivatives, preparation process and medical use thereof | 20190701 |
WO-2020255016-A1 | Combination of hepatitis b virus (hbv) vaccines and dihydropyrimidine derivatives as capsid assembly modulators | 20190618 |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.14739250 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.14739250 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 61.8 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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