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121720-51-2 | Cyanamide, (2-hexyl-5-methyl-2,5-cyclohexadiene-1,4-diylidene)bis- (9CI)
CAS No: 121720-51-2 Catalog No: AG0015MO MDL No:
Product Description
Catalog Number:
AG0015MO
Chemical Name:
Cyanamide, (2-hexyl-5-methyl-2,5-cyclohexadiene-1,4-diylidene)bis- (9CI)
CAS Number:
121720-51-2
Molecular Formula:
C15H18N4
Molecular Weight:
254.3302
IUPAC Name:
(4-cyanoimino-2-hexyl-5-methylcyclohexa-2,5-dien-1-ylidene)cyanamide
InChI:
InChI=1S/C15H18N4/c1-3-4-5-6-7-13-9-14(18-10-16)12(2)8-15(13)19-11-17/h8-9H,3-7H2,1-2H3
InChI Key:
RGEMDKYAQMTDQM-UHFFFAOYSA-N
SMILES:
CC1=CC(=NC#N)C(=CC1=NC#N)CCCCCC
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.153g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.337g/mol
Monoisotopic Mass:
254.153g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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