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18995-00-1 | Phosphonothioic diamide, N,N'-dibutyl-P-phenyl- (8CI,9CI)
CAS No: 18995-00-1 Catalog No: AG002E6X MDL No:
Product Description
Catalog Number:
AG002E6X
Chemical Name:
Phosphonothioic diamide, N,N'-dibutyl-P-phenyl- (8CI,9CI)
CAS Number:
18995-00-1
Molecular Formula:
C14H25N2PS
Molecular Weight:
284.4005
IUPAC Name:
N-[butylamino(phenyl)phosphinothioyl]butan-1-amine
InChI:
InChI=1S/C14H25N2PS/c1-3-5-12-15-17(18,16-13-6-4-2)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3,(H2,15,16,18)
InChI Key:
BUYJAHLFDMEAGP-UHFFFAOYSA-N
SMILES:
CCCCNP(=S)(c1ccccc1)NCCCC
NSC Number:
108723
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.148g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.402g/mol
Monoisotopic Mass:
284.148g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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