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88967-29-7 | 1,2,4-Triazine, hexahydro-1-methyl-4-phenyl-
CAS No: 88967-29-7 Catalog No: AG0045Y6 MDL No:
Product Description
Catalog Number:
AG0045Y6
Chemical Name:
1,2,4-Triazine, hexahydro-1-methyl-4-phenyl-
CAS Number:
88967-29-7
Molecular Formula:
C10H15N3
Molecular Weight:
177.2462
IUPAC Name:
1-methyl-4-phenyl-1,2,4-triazinane
InChI:
InChI=1S/C10H15N3/c1-12-7-8-13(9-11-12)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChI Key:
COILMJROIUZODR-UHFFFAOYSA-N
SMILES:
CN1CCN(CN1)c1ccccc1
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.127g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.251g/mol
Monoisotopic Mass:
177.127g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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