1,2-Propanediol, 3-[(1-methylethyl)amino]-, (S)-


Chemical Name: 1,2-Propanediol, 3-[(1-methylethyl)amino]-, (S)-
CAS Number: 90742-94-2
Product Number: AG00GSWU(AGN-PC-0OMFNK)
Synonyms:
MDL No: MFCD00237129
Molecular Formula: C6H15NO2
Molecular Weight: 133.1888

Identification/Properties


Computed Properties
Molecular Weight:
133.191g/mol
XLogP3:
-0.7
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
133.11g/mol
Monoisotopic Mass:
133.11g/mol
Topological Polar Surface Area:
52.5A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
66.1
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#:
2735
Hazard Statements:
H318
Precautionary Statements:
P280-P305+P351+P338+P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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