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139775-84-1 | Thiocyanic acid, compd. with N-cyclohexylcyclohexanamine (1:1)
CAS No: 139775-84-1 Catalog No: AG001BPE MDL No:
Product Description
Catalog Number:
AG001BPE
Chemical Name:
Thiocyanic acid, compd. with N-cyclohexylcyclohexanamine (1:1)
CAS Number:
139775-84-1
Molecular Formula:
C13H24N2S
Molecular Weight:
240.4081
IUPAC Name:
N-cyclohexylcyclohexanamine;thiocyanic acid
InChI:
InChI=1S/C12H23N.CHNS/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1-3/h11-13H,1-10H2;3H
InChI Key:
GNFIFUPYKLQKLZ-UHFFFAOYSA-N
SMILES:
C1CCC(CC1)NC1CCCCC1.SC#N
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.166g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.409g/mol
Monoisotopic Mass:
240.166g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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