이름: 4-[2,2-bis(dimethoxyphosphoryl)ethyl]aniline
SMILES:
COP(=O)(C(CC1=CC=C(C=C1)N)P(=O)(OC)OC)OCMolecular Processing
Molecular formula
C12H21NO6P2
Molecular weight
337.25
Exact mass
337.0844
XLogP
3.11
TPSA
97.08
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
81.6
Supplementary Information
InChIKey: WNZCQSGNRQYPKO-UHFFFAOYSA-N
동의어
SCHEMBL27750581WNZCQSGNRQYPKO-UHFFFAOYSA-NTetramethyl 1-(4-aminobenzyl)methylenebisphosphonateDimethyl 2-(4-aminophenyl)-1-(dimethoxyphosphoryl)ethylphosphonate
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