1-Propanamine, 3-(methylthio)-


Chemical Name: 1-Propanamine, 3-(methylthio)-
CAS Number: 4104-45-4
Product Number: AG003I9G(AGN-PC-0JLQWR)
Synonyms:
MDL No:
Molecular Formula: C4H11NS
Molecular Weight: 105.2018

Identification/Properties


Properties
BP:
169 °C(lit.)
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Stability:
Air Sensitive
Refractive Index:
n20/D 1.4940(lit.)
Computed Properties
Molecular Weight:
105.199g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
105.061g/mol
Monoisotopic Mass:
105.061g/mol
Topological Polar Surface Area:
51.3A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
23.5
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
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:
H315-H318-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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