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1626413-51-1 | 1H-1,2,3-Triazole-1-butanamine, 4-(3-nitrophenyl)-
CAS No: 1626413-51-1 Catalog No: AG001T9U MDL No:MFCD28502704
Product Description
Catalog Number:
AG001T9U
Chemical Name:
1H-1,2,3-Triazole-1-butanamine, 4-(3-nitrophenyl)-
CAS Number:
1626413-51-1
Molecular Formula:
C12H15N5O2
Molecular Weight:
261.2798
MDL Number:
MFCD28502704
IUPAC Name:
4-[4-(3-nitrophenyl)triazol-1-yl]butan-1-amine
InChI:
InChI=1S/C12H15N5O2/c13-6-1-2-7-16-9-12(14-15-16)10-4-3-5-11(8-10)17(18)19/h3-5,8-9H,1-2,6-7,13H2
InChI Key:
VUZNHJRCHGAGEQ-UHFFFAOYSA-N
SMILES:
NCCCCn1nnc(c1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.123g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.285g/mol
Monoisotopic Mass:
261.123g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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