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1305320-68-6 | 2H-Tetrazole-2-acetamide, N-(2-aminoethyl)-5-(3-phenoxyphenyl)-
CAS No: 1305320-68-6 Catalog No: AG000UKZ MDL No:MFCD18911732
Product Description
Catalog Number:
AG000UKZ
Chemical Name:
2H-Tetrazole-2-acetamide, N-(2-aminoethyl)-5-(3-phenoxyphenyl)-
CAS Number:
1305320-68-6
Molecular Formula:
C17H18N6O2
Molecular Weight:
338.3638
MDL Number:
MFCD18911732
IUPAC Name:
N-(2-aminoethyl)-2-[5-(3-phenoxyphenyl)tetrazol-2-yl]acetamide
InChI:
InChI=1S/C17H18N6O2/c18-9-10-19-16(24)12-23-21-17(20-22-23)13-5-4-8-15(11-13)25-14-6-2-1-3-7-14/h1-8,11H,9-10,12,18H2,(H,19,24)
InChI Key:
AIUUDYDKDPTPDS-UHFFFAOYSA-N
SMILES:
NCCNC(=O)Cn1nnc(n1)c1cccc(c1)Oc1ccccc1
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.149g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
338.371g/mol
Monoisotopic Mass:
338.149g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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