1-Propanamine, N,N-diethyl-3-isothiocyanato-


Chemical Name: 1-Propanamine, N,N-diethyl-3-isothiocyanato-
CAS Number: 2626-52-0
Product Number: AG002SHM(AGN-PC-0KKMD1)
Synonyms:
MDL No:
Molecular Formula: C8H16N2S
Molecular Weight: 172.2910

Identification/Properties


Properties
Storage:
2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
172.29g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
6
Exact Mass:
172.103g/mol
Monoisotopic Mass:
172.103g/mol
Topological Polar Surface Area:
47.7A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
126
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#:
3334
Hazard Statements:
H302-H315-H318-H335
Precautionary Statements:
P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
Class:
9
Packing Group:

NMR Spectrum


Other Analytical Data


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