Home Other Building Blocks 2-Methyl-1,3-propanediol

2-Methyl-1,3-propanediol

CAS No.:
2163-42-0
Catalog Number:
AG003HL2
Molecular Formula:
C4H10O2
Molecular Weight:
90.1210
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$19
- +
100g
95%
In Stock USA
United States
$50
- +
500g
95%
In Stock USA
United States
$172
- +
Product Description
Catalog Number:
AG003HL2
Chemical Name:
2-Methyl-1,3-propanediol
CAS Number:
2163-42-0
Molecular Formula:
C4H10O2
Molecular Weight:
90.1210
MDL Number:
MFCD00082586
IUPAC Name:
2-methylpropane-1,3-diol
InChI:
InChI=1S/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3
InChI Key:
QWGRWMMWNDWRQN-UHFFFAOYSA-N
SMILES:
OCC(CO)C
UNII:
N8F53B3R4R
Properties
Complexity:
24.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
90.068g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
90.122g/mol
Monoisotopic Mass:
90.068g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Literature
Title Journal
The transcription factor AmrZ utilizes multiple DNA binding modes to recognize activator and repressor sequences of Pseudomonas aeruginosa virulence genes. PLoS pathogens 20120401
Direct generation of acyclic polypropionate stereopolyads via double diastereo- and enantioselective iridium-catalyzed crotylation of 1,3-diols: beyond stepwise carbonyl addition in polyketide construction. Journal of the American Chemical Society 20110817
Optimization of culture conditions to produce high yields of active Acetobacter sp. CCTCC M209061 cells for anti-Prelog reduction of prochiral ketones. BMC biotechnology 20110101
Inducing single-molecule magnetism in a family of loop-of-loops aggregates: heterometallic Mn(40)Na(4) clusters and the homometallic Mn(44) analogue. Journal of the American Chemical Society 20101117
A Mn₁₅ single-molecule magnet consisting of a supertetrahedron incorporated in a loop. Dalton transactions (Cambridge, England : 2003) 20100528
The difficult case of crystallization and structure solution for the ParC55 breakage-reunion domain of topoisomerase IV from Streptococcus pneumoniae. PloS one 20080101
Regulated-stereoselective construction of thirteen stereogenic centers necessary for the frame of (+)-discodermolide, based on iterative Lewis acid-promoted aldol reactions. The Journal of organic chemistry 20031017
A multiphasic hollow fiber reactor for the whole-cell bioconversion of 2-methyl-1,3-propanediol to (r)-beta-hydroxyisobutyric acid. Biotechnology progress 20010101
Properties