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85285-40-1 | 1H-Tetrazol-5-amine,N-phenyl-1-propyl-
CAS No: 85285-40-1 Catalog No: AG004LSF MDL No:
Product Description
Catalog Number:
AG004LSF
Chemical Name:
1H-Tetrazol-5-amine,N-phenyl-1-propyl-
CAS Number:
85285-40-1
Molecular Formula:
C10H13N5
Molecular Weight:
203.2437
IUPAC Name:
N-phenyl-1-propyltetrazol-5-amine
InChI:
InChI=1S/C10H13N5/c1-2-8-15-10(12-13-14-15)11-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,12,14)
InChI Key:
FLQGSGOKZSTPKG-UHFFFAOYSA-N
SMILES:
CCCn1nnnc1Nc1ccccc1
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.117g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.249g/mol
Monoisotopic Mass:
203.117g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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