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3-Amino-2-(4-methoxyphenyl)propylphosphonous acid

HCID 10014031
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(C(CN)CP(O)O)cc1
InChIKey
ABCIMTFCLBIYPA-UHFFFAOYSA-N
Molecular formula
C10H16NO3P
Average molar mass
229.21 g/mol

Names & identifiers

Preferred name
3-Amino-2-(4-methoxyphenyl)propylphosphonous acid
IUPAC
[3-amino-2-(4-methoxyphenyl)propyl]phosphonous acid

Names & synonyms

SCHEMBL341858ABCIMTFCLBIYPA-UHFFFAOYSA-N3-amino-2-(4-methoxyphenyl)propylphosphonous acid

Database identifiers

PubChem CID
10014031

Properties

Computed structural properties

XLogP
-0.3
Topological polar surface area
75.7 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
15
Formal charge
0
Complexity
172

Related reactions

6 records
New reaction record
HRID 5198 reaction equation
HRID 5198As productuspto-grants-1993_09
HRID 542324 reaction equation
HRID 542324As productuspto-grants-1987_04
HRID 622906 reaction equation
HRID 622906As productuspto-grants-1988_09
HRID 1084515 reaction equation
HRID 1084515As productuspto-grants-1991_04
HRID 1165341 reaction equation
HRID 1165341As productuspto-grants-1990_03
HRID 2209956 reaction equation
HRID 2209956As productuspto-grants-1995_10

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes