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124821-12-1 | Pyrimidine, hexahydro-1-methyl-2-phenyl-
CAS No: 124821-12-1 Catalog No: AG000MRE MDL No:MFCD20663763
Product Description
Catalog Number:
AG000MRE
Chemical Name:
Pyrimidine, hexahydro-1-methyl-2-phenyl-
CAS Number:
124821-12-1
Molecular Formula:
C11H16N2
Molecular Weight:
176.2581
MDL Number:
MFCD20663763
IUPAC Name:
1-methyl-2-phenyl-1,3-diazinane
InChI:
InChI=1S/C11H16N2/c1-13-9-5-8-12-11(13)10-6-3-2-4-7-10/h2-4,6-7,11-12H,5,8-9H2,1H3
InChI Key:
RMGVWNYQWJLGJZ-UHFFFAOYSA-N
SMILES:
CN1CCCNC1c1ccccc1
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.263g/mol
Monoisotopic Mass:
176.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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