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182306-47-4 | 1H-1,4,7-Triazonine, 1-[(4-ethenylphenyl)methyl]octahydro-
CAS No: 182306-47-4 Catalog No: AG0023LU MDL No:
Product Description
Catalog Number:
AG0023LU
Chemical Name:
1H-1,4,7-Triazonine, 1-[(4-ethenylphenyl)methyl]octahydro-
CAS Number:
182306-47-4
Molecular Formula:
C15H23N3
Molecular Weight:
245.3632
IUPAC Name:
1-[(4-ethenylphenyl)methyl]-1,4,7-triazonane
InChI:
InChI=1S/C15H23N3/c1-2-14-3-5-15(6-4-14)13-18-11-9-16-7-8-17-10-12-18/h2-6,16-17H,1,7-13H2
InChI Key:
JTHCCAYHVVDKON-UHFFFAOYSA-N
SMILES:
C=Cc1ccc(cc1)CN1CCNCCNCC1
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.189g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.37g/mol
Monoisotopic Mass:
245.189g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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