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Home Other Building Blocks 3-(1H-1,2,3,4-tetrazol-5-yl)azetidin-3-ol hydrochloride

3-(1H-1,2,3,4-tetrazol-5-yl)azetidin-3-ol hydrochloride

CAS No.:
1229705-32-1
Catalog Number:
AG01BRTL
Molecular Formula:
C4H8ClN5O
Molecular Weight:
177.5922
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Product Description
Catalog Number:
AG01BRTL
Chemical Name:
3-(1H-1,2,3,4-tetrazol-5-yl)azetidin-3-ol hydrochloride
CAS Number:
1229705-32-1
Molecular Formula:
C4H8ClN5O
Molecular Weight:
177.5922
MDL Number:
MFCD30535888
IUPAC Name:
3-(2H-tetrazol-5-yl)azetidin-3-ol;hydrochloride
InChI:
InChI=1S/C4H7N5O.ClH/c10-4(1-5-2-4)3-6-8-9-7-3;/h5,10H,1-2H2,(H,6,7,8,9);1H
InChI Key:
WHYBZEQJKYPCST-UHFFFAOYSA-N
SMILES:
OC1(CNC1)c1nnn[nH]1.Cl
Properties
Complexity:
136  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.042g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
177.592g/mol
Monoisotopic Mass:
177.042g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Azetidine derivatives as novel gamma-aminobutyric acid uptake inhibitors: synthesis, biological evaluation, and structure-activity relationship. European journal of medicinal chemistry 20100601
Properties