1H-Tetrazole, 5-(2-pyrrolidinyl)-, (S)-


Chemical Name: 1H-Tetrazole, 5-(2-pyrrolidinyl)-, (S)-
CAS Number: 33878-70-5
Product Number: AG003CMS(AGN-PC-0R9DQ8)
Synonyms:
MDL No:
Molecular Formula: C5H9N5
Molecular Weight: 139.1585

Identification/Properties


Properties
MP:
271 °C
BP:
335.37°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
-8 ° (C=1, MeOH)
Computed Properties
Molecular Weight:
139.162g/mol
XLogP3:
-0.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
139.086g/mol
Monoisotopic Mass:
139.086g/mol
Topological Polar Surface Area:
66.5A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
117
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#:
2811
Hazard Statements:
H301-H315-H319-H335
Precautionary Statements:
P261-P301+P310-P305+P351+P338
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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