CAS 624-95-3 | 3,3-Dimethylbutan-1-ol | CAS Number 624-95-3

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624-95-3 | 3,3-Dimethylbutan-1-ol

CAS No: 624-95-3 Catalog No: AG003BAO MDL No:MFCD00002928

Product Description

Catalog Number:

AG003BAO

Chemical Name:

3,3-Dimethylbutan-1-ol

CAS Number:

624-95-3

Molecular Formula:

C6H14O

Molecular Weight:

102.1748

MDL Number:

MFCD00002928

IUPAC Name:

3,3-dimethylbutan-1-ol

InChI:

InChI=1S/C6H14O/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3

InChI Key:

DUXCSEISVMREAX-UHFFFAOYSA-N

SMILES:

OCCC(C)(C)C

EC Number:

210-872-6

UNII:

543OYD666T

NSC Number:

54158

Properties

Complexity:

42.6

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

102.104g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

102.177g/mol

Monoisotopic Mass:

102.104g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
Sulfur mustard induced mast cell degranulation in mouse skin is inhibited by a novel anti-inflammatory and anticholinergic bifunctional prodrug.	Toxicology letters 20180901
Incorporation of ionic ligands accelerates drug release from LDI-glycerol polyurethanes.	Acta biomaterialia 20100101
Magnetic quantum tunneling: key insights from multi-dimensional high-field EPR.	Physical chemistry chemical physics : PCCP 20090821
Recovery of choline oxidase activity by in vitro recombination of individual segments.	Applied microbiology and biotechnology 20081101
On the contribution of the positively charged headgroup of choline to substrate binding and catalysis in the reaction catalyzed by choline oxidase.	Archives of biochemistry and biophysics 20060715
Single-molecule magnets: high-field electron paramagnetic resonance evaluation of the single-ion zero-field interaction in a Zn(II)3Ni(II) complex.	Inorganic chemistry 20050530
The trimethylammonium headgroup of choline is a major determinant for substrate binding and specificity in choline oxidase.	Archives of biochemistry and biophysics 20041015