Home Other Building Blocks 5-(3-phenylpropyl)-1H-1,2,3,4-tetrazole

5-(3-phenylpropyl)-1H-1,2,3,4-tetrazole

CAS No.:
197447-36-2
Catalog Number:
AG019YGK
Molecular Formula:
C10H12N4
Molecular Weight:
188.2291
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Product Description
Catalog Number:
AG019YGK
Chemical Name:
5-(3-phenylpropyl)-1H-1,2,3,4-tetrazole
CAS Number:
197447-36-2
Molecular Formula:
C10H12N4
Molecular Weight:
188.2291
MDL Number:
MFCD11156005
IUPAC Name:
5-(3-phenylpropyl)-2H-tetrazole
InChI:
InChI=1S/C10H12N4/c1-2-5-9(6-3-1)7-4-8-10-11-13-14-12-10/h1-3,5-6H,4,7-8H2,(H,11,12,13,14)
InChI Key:
KWQGGCDOCUJFBV-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CCCc1nnn[nH]1
NSC Number:
11129
Properties
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.106g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.234g/mol
Monoisotopic Mass:
188.106g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties