Home Other Building Blocks 5-[(pyrrolidin-3-yl)methyl]-1H-1,2,3,4-tetrazole hydrochloride

5-[(pyrrolidin-3-yl)methyl]-1H-1,2,3,4-tetrazole hydrochloride

CAS No.:
2138272-00-9
Catalog Number:
AG01EHXK
Molecular Formula:
C6H12ClN5
Molecular Weight:
189.6460
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Product Description
Catalog Number:
AG01EHXK
Chemical Name:
5-[(pyrrolidin-3-yl)methyl]-1H-1,2,3,4-tetrazole hydrochloride
CAS Number:
2138272-00-9
Molecular Formula:
C6H12ClN5
Molecular Weight:
189.6460
MDL Number:
MFCD31558694
IUPAC Name:
5-(pyrrolidin-3-ylmethyl)-2H-tetrazole;hydrochloride
InChI:
InChI=1S/C6H11N5.ClH/c1-2-7-4-5(1)3-6-8-10-11-9-6;/h5,7H,1-4H2,(H,8,9,10,11);1H
InChI Key:
CKQVATDCVKRIHY-UHFFFAOYSA-N
SMILES:
C1NCC(C1)Cc1nnn[nH]1.Cl
Properties
Complexity:
128  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.078g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
189.647g/mol
Monoisotopic Mass:
189.078g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties