3-Bromo-2,2-dimethyl-1-propanol - CAS 40894-00-6
Catalog: |
BB024705 |
Product Name: |
3-Bromo-2,2-dimethyl-1-propanol |
CAS: |
40894-00-6 |
Synonyms: |
3-bromo-2,2-dimethylpropan-1-ol |
IUPAC Name: | 3-bromo-2,2-dimethylpropan-1-ol |
Description: | 3-Bromo-2,2-dimethyl-1-propanol (CAS# 40894-00-6) is used in preparation of Pyrrolopyrimidines and related compounds as MAP4K4 inhibitors. |
Molecular Weight: | 167.04 |
Molecular Formula: | C5H11BrO |
Canonical SMILES: | CC(C)(CO)CBr |
InChI: | InChI=1S/C5H11BrO/c1-5(2,3-6)4-7/h7H,3-4H2,1-2H3 |
InChI Key: | KQOQXYPZBYTICM-UHFFFAOYSA-N |
Boiling Point: | 184-187 °C |
Purity: | 95 % |
Density: | 1.358 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD00004683 |
LogP: | 1.39980 |
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-113499683-A | VOC (volatile organic compound) based on catalytic oxidationsComposite processing system and method | 20210407 |
CN-112409131-A | Synthetic preparation method of 3-bromo-2, 2-dimethyl-1-propanol | 20201201 |
CN-112321420-A | Naproxen impurity and preparation method thereof | 20201103 |
CN-110156822-B | Naphthol-phenylboronic acid compound and preparation method and application thereof | 20190517 |
WO-2019138107-A1 | Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase | 20180115 |
Complexity: | 52 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.99933 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.99933 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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