1-Butanol, 2-methyl-, (2S)-


Chemical Name: 1-Butanol, 2-methyl-, (2S)-
CAS Number: 1565-80-6
Product Number: AG001ORX(AGN-PC-0O4GQ9)
Synonyms:
MDL No:
Molecular Formula: C5H12O
Molecular Weight: 88.1482

Identification/Properties


Computed Properties
Molecular Weight:
88.15g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
88.089g/mol
Monoisotopic Mass:
88.089g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
27.1
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
1987
Hazard Statements:
H226-H332
Precautionary Statements:
P210-P261-P304+P340+P312-P403+P235
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback