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Home Other Building Blocks 2-(1H-Tetrazol-5-yl)ethanamine

2-(1H-Tetrazol-5-yl)ethanamine

CAS No.:
31602-64-9
Catalog Number:
AG003EY9
Molecular Formula:
C3H7N5
Molecular Weight:
113.1212
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$285
- +
1g
95%
1 week
United States
$657
- +
Product Description
Catalog Number:
AG003EY9
Chemical Name:
2-(1H-Tetrazol-5-yl)ethanamine
CAS Number:
31602-64-9
Molecular Formula:
C3H7N5
Molecular Weight:
113.1212
MDL Number:
MFCD09971181
IUPAC Name:
2-(2H-tetrazol-5-yl)ethanamine
InChI:
InChI=1S/C3H7N5/c4-2-1-3-5-7-8-6-3/h1-2,4H2,(H,5,6,7,8)
InChI Key:
MZYXHLMULHPGKX-UHFFFAOYSA-N
SMILES:
NCCc1nnn[nH]1
Properties
Complexity:
64.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.07g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
113.124g/mol
Monoisotopic Mass:
113.07g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  
Literature
Title Journal
Aminomethyltetrazoles as potential inhibitors of the γ-aminobutyric acid transporters mGAT1-mGAT4: synthesis and biological evaluation. Bioorganic & medicinal chemistry 20111101
Carboxylate bioisosteres of pregabalin. Bioorganic & medicinal chemistry letters 20060701
Properties