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1228583-52-5 | 2H-Tetrazole, 5-(3-pyrrolidinyl)-, hydrochloride (1:1)
CAS No: 1228583-52-5 Catalog No: AG000JM2 MDL No:MFCD28099066
Product Description
Catalog Number:
AG000JM2
Chemical Name:
2H-Tetrazole, 5-(3-pyrrolidinyl)-, hydrochloride (1:1)
CAS Number:
1228583-52-5
Molecular Formula:
C5H10ClN5
Molecular Weight:
175.6194
MDL Number:
MFCD28099066
IUPAC Name:
5-pyrrolidin-3-yl-2H-tetrazole;hydrochloride
InChI:
InChI=1S/C5H9N5.ClH/c1-2-6-3-4(1)5-7-9-10-8-5;/h4,6H,1-3H2,(H,7,8,9,10);1H
InChI Key:
OEBQFGWJCOTOHF-UHFFFAOYSA-N
SMILES:
C1NCC(C1)c1n[nH]nn1.Cl
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.062g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
175.62g/mol
Monoisotopic Mass:
175.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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