Home Other Building Blocks 1-[4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]ethan-1-amine hydrochloride

1-[4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]ethan-1-amine hydrochloride

CAS No.:
1803609-77-9
Catalog Number:
AG01ALKY
Molecular Formula:
C9H12ClN5
Molecular Weight:
225.6781
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Product Description
Catalog Number:
AG01ALKY
Chemical Name:
1-[4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]ethan-1-amine hydrochloride
CAS Number:
1803609-77-9
Molecular Formula:
C9H12ClN5
Molecular Weight:
225.6781
MDL Number:
MFCD28954394
IUPAC Name:
1-[4-(2H-tetrazol-5-yl)phenyl]ethanamine;hydrochloride
InChI:
InChI=1S/C9H11N5.ClH/c1-6(10)7-2-4-8(5-3-7)9-11-13-14-12-9;/h2-6H,10H2,1H3,(H,11,12,13,14);1H
InChI Key:
JWCITYJEMFRYAD-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)c1n[nH]nn1)N.Cl
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.078g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
225.68g/mol
Monoisotopic Mass:
225.078g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties