(S)-1-Boc-2-(Hydroxymethyl)piperazine - CAS 1030377-21-9
Catalog: |
BB000995 |
Product Name: |
(S)-1-Boc-2-(Hydroxymethyl)piperazine |
CAS: |
1030377-21-9 |
Synonyms: |
(2S)-2-(hydroxymethyl)-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl (2S)-2-(hydroxymethyl)piperazine-1-carboxylate |
IUPAC Name: | tert-butyl (2S)-2-(hydroxymethyl)piperazine-1-carboxylate |
Description: | (S)-1-Boc-2-(Hydroxymethyl)piperazine (CAS# 1030377-21-9) is a heterocyclic building block used in synthetic chemistry. |
Molecular Weight: | 216.28 |
Molecular Formula: | C10H20N2O3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCNCC1CO |
InChI: | InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-4-11-6-8(12)7-13/h8,11,13H,4-7H2,1-3H3/t8-/m0/s1 |
InChI Key: | BCPPNDHZUPIXJM-QMMMGPOBSA-N |
Boiling Point: | 324 °C at 760 mmHg |
Density: | 1.085 g/cm3 |
Appearance: | Solid |
MDL: | MFCD07772093 |
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, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021194326-A1 | Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators | 20200327 |
WO-2021005034-A1 | New heterocyclic compounds | 20190709 |
TW-202100512-A | A fused aromatic ring derivative, a preparation method thereof, and medical use thereof | 20190306 |
WO-2020177729-A1 | Fused aromatic ring derivative, preparation method therefor, and pharmaceutical application thereof | 20190306 |
US-2020331911-A1 | Kras g12c inhibitors | 20190110 |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
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: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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