200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 229477-36-5
229477-36-5 | 5-Pyrimidinemethanol, hexahydro-1,3-bis(1-methylethyl)-5-nitro-
CAS No: 229477-36-5 Catalog No: AG002LMG MDL No:
Product Description
Catalog Number:
AG002LMG
Chemical Name:
5-Pyrimidinemethanol, hexahydro-1,3-bis(1-methylethyl)-5-nitro-
CAS Number:
229477-36-5
Molecular Formula:
C11H23N3O3
Molecular Weight:
245.3186
IUPAC Name:
[5-nitro-1,3-di(propan-2-yl)-1,3-diazinan-5-yl]methanol
InChI:
InChI=1S/C11H23N3O3/c1-9(2)12-5-11(7-15,14(16)17)6-13(8-12)10(3)4/h9-10,15H,5-8H2,1-4H3
InChI Key:
TUDIGKWOQZOCJD-UHFFFAOYSA-N
SMILES:
OCC1(CN(CN(C1)C(C)C)C(C)C)[N+](=O)[O-]
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.174g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.323g/mol
Monoisotopic Mass:
245.174g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.