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100528-00-5 | Carbamimidic acid, N,N'-bis(1-methylethyl)-, cyclohexyl ester
CAS No: 100528-00-5 Catalog No: AG00028X MDL No:
Product Description
Catalog Number:
AG00028X
Chemical Name:
Carbamimidic acid, N,N'-bis(1-methylethyl)-, cyclohexyl ester
CAS Number:
100528-00-5
Molecular Formula:
C13H26N2O
Molecular Weight:
226.3583
IUPAC Name:
cyclohexyl N,N'-di(propan-2-yl)carbamimidate
InChI:
InChI=1S/C13H26N2O/c1-10(2)14-13(15-11(3)4)16-12-8-6-5-7-9-12/h10-12H,5-9H2,1-4H3,(H,14,15)
InChI Key:
WJKYHDPCKHDPRM-UHFFFAOYSA-N
SMILES:
CC(NC(=NC(C)C)OC1CCCCC1)C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.205g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.364g/mol
Monoisotopic Mass:
226.205g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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