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1 Gram |
Negotiable |
N-diethoxyphosphorylhexan-1-amine 53247-00-0 98%
Identification and Related Records
【Name】
N-Hexylphosporamidic acid diethyl ester
【Iupac name】
N-diethoxyphosphorylhexan-1-amine
【CAS Registry number】
53247-00-0
【Synonyms】
N-Hexylphosporamidic acid diethyl ester
【Molecular Formula】
C10H24NO3P (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C10H24NO3P/c1-4-7-8-9-10-11-15(12,13-5-2)14-6-3/h4-10H2,1-3H3,(H,11,12)
【Canonical SMILES】
CCCCCCNP(=O)(OCC)OCC
【MOL File】
53247-00-0.mol
Chemical and Physical Properties
【Density】
0.991g/cm3
【Boiling Point】
281.4°C at 760 mmHg
【Refractive Index】
1.434
【Flash Point】
124°C
【Computed Properties】
Molecular Weight:237.276221 [g/mol]
Molecular Formula:C10H24NO3P
XLogP3-AA:2.3
H-Bond Donor:1
H-Bond Acceptor:4
Rotatable Bond Count:10
Tautomer Count:2
Exact Mass:237.14938
MonoIsotopic Mass:237.14938
Topological Polar Surface Area:47.6
Heavy Atom Count:15
Formal Charge:0
Complexity:178
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Hydrophobe Count:2
Effective Rotor Count:10
Conformer Sampling RMSD:1
CID Conformer Count:86
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