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16077-41-1 | Pyrimidine, 1,3-bis(1,1-dimethylethyl)hexahydro-
CAS No: 16077-41-1 Catalog No: AG001VBI MDL No:
Product Description
Catalog Number:
AG001VBI
Chemical Name:
Pyrimidine, 1,3-bis(1,1-dimethylethyl)hexahydro-
CAS Number:
16077-41-1
Molecular Formula:
C12H26N2
Molecular Weight:
198.3482
IUPAC Name:
1,3-ditert-butyl-1,3-diazinane
InChI:
InChI=1S/C12H26N2/c1-11(2,3)13-8-7-9-14(10-13)12(4,5)6/h7-10H2,1-6H3
InChI Key:
KAEASFMSXXQFDU-UHFFFAOYSA-N
SMILES:
CC(N1CCCN(C1)C(C)(C)C)(C)C
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.21g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.354g/mol
Monoisotopic Mass:
198.21g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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