N-Boc-2-amino-2-methyl-1-propanol - CAS 102520-97-8
Catalog: |
BB000875 |
Product Name: |
N-Boc-2-amino-2-methyl-1-propanol |
CAS: |
102520-97-8 |
Synonyms: |
Boc-Aib-ol; Boc-(Me)Ala-ol; N-((tert-Butoxy)carbonyl)-2-aminoisobutanol; N-((tert-Butoxy)carbonyl)-2-methylalaninol; Tert-butyl (1-hydroxy-2-methylpropan-2-yl)carbamate |
IUPAC Name: | tert-butyl N-(1-hydroxy-2-methylpropan-2-yl)carbamate |
Description: | N-Boc-2-amino-2-methyl-1-propanol (CAS# 102520-97-8) is used in preparation of diamine derivatives as KCa3.1 potassium channel inhibitors. |
Molecular Weight: | 189.26 |
Molecular Formula: | C9H19NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)NC(C)(C)CO |
InChI: | InChI=1S/C9H19NO3/c1-8(2,3)13-7(12)10-9(4,5)6-11/h11H,6H2,1-5H3,(H,10,12) |
InChI Key: | SBWYTQQSTIUXOP-UHFFFAOYSA-N |
Boiling Point: | 286.543 ℃ at 760 mmHg |
Melting Point: | 52-59 ℃ |
Purity: | ≥ 99 % (HPLC) |
Density: | 1.012 g/cm3 |
Appearance: | White crystalline powder |
Storage: | Store at 2-8 ℃ |
MDL: | MFCD03788641 |
LogP: | 1.67290 |
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-113336774-A | Substituted chiral diaryl macrocycles as TRK inhibitors | 20210625 |
WO-2021041671-A1 | Kras g12d inhibitors | 20190829 |
WO-2020193419-A1 | Novel potassium channel inhibitors | 20190322 |
US-2020290998-A1 | Novel imidazole-pyrazole derivatives | 20190308 |
WO-2020182648-A1 | Novel imidazole-pyrazole derivatives | 20190308 |
Complexity: | 182 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.13649347 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.13649347 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 58.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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