(3-Amino-4-(2-hydroxypropoxy)phenyl)arsonic acid
Basic information
- CAS
5423-12-1- Standard SMILES
CC(O)COc1ccc([As](=O)(O)O)cc1N- InChIKey
FEQOAJFIPPBRLL-UHFFFAOYSA-N- Molecular formula
- C9H14AsNO5
- Average molar mass
- 291.13 g/mol
- Monoisotopic mass
- 291.008792
Names & identifiers
- Preferred name
- (3-Amino-4-(2-hydroxypropoxy)phenyl)arsonic acid
- IUPAC
- [3-amino-4-(2-hydroxypropoxy)phenyl]arsonic acid
- English name
- [3-Amino-4-(2-hydroxypropoxy)phenyl]arsonic acid
- Molecular formula
- C9H14AsNO5
- Molecular weight
- 291.13
Names & synonyms
[3-AMINO-4-(2-HYDROXYPROPOXY)PHENYL]ARSONIC ACID5423-12-1DTXSID001319438(3-amino-4-(2-hydroxypropoxy)phenyl)arsonic acidRefChem:1050083DTXCID501748858NSC11825Arsonic acid, (3-amino-4-(2-hydroxypropoxy)phenyl)-Benzenearsonic acid, 3-amino-4(1-(2-hydroxy)propoxy)-Arsonic acid, [3-amino-4-(2-hydroxypropoxy)phenyl]-Benzenearsonic acid, 3-amino-4[1-(2-hydroxy)propoxy]-NSC-11825
Show more names
Arsonic acid, [3-amino-4-(2-hydroxypropoxy)phenyl]- (9CI)
NSC 11825BRN 33078903-Amino-4-(1-(2-hydroxy)propoxy)benzenearsonic acidCHEMBL2001251Benzenearsonic acid, 3-amino-4-(1-(2-hydroxy)propoxy)-WLN: QY1&1OR BZ D-AS-QQONCI60_0004373-amino-4-(2-hydroxypropoxy)phenylarsonic acid
Database identifiers
- CAS
5423-12-1- PubChem CID
- 95470
- DTXSID
DTXSID001319438- ChEMBL
CHEMBL2001251- Nikkaji
- J35.582H
Properties
Computed structural properties
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Boiling point
- 135 °C · 135°C
- pka
- 8.67 · 8.67±0.30(Predicted)
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Related reactions
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Compound notes
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