(3-methoxyphenyl)hydrazine;phosphoric acid

C7H13N2O5P — CID 138619503

IUPAC(3-methoxyphenyl)hydrazine;phosphoric acid
SMILESCOc1cccc(NN)c1.O=P(O)(O)O
InChIInChI=1S/C7H10N2O.H3O4P/c1-10-7-4-2-3-6(5-7)9-8;1-5(2,3)4/h2-5,9H,8H2,1H3;(H3,1,2,3,4)
InChIKeyNIRWIZJKLCRCHA-UHFFFAOYSA-N
MW236.16 g/mol
LogP0.05
Rot. Bonds2

About (3-methoxyphenyl)hydrazine;phosphoric acid

(3-methoxyphenyl)hydrazine;phosphoric acid (PubChem CID 138619503) has the molecular formula C7H13N2O5P and a molecular weight of 236.16 g/mol. Its IUPAC name is (3-methoxyphenyl)hydrazine;phosphoric acid.

Molecular Properties

Compound Name(3-methoxyphenyl)hydrazine;phosphoric acid
PubChem CID138619503
Molecular FormulaC7H13N2O5P
Molecular Weight236.16 g/mol
Exact Mass236.06
IUPAC Name(3-methoxyphenyl)hydrazine;phosphoric acid
SMILESCOc1cccc(NN)c1.O=P(O)(O)O
InChIInChI=1S/C7H10N2O.H3O4P/c1-10-7-4-2-3-6(5-7)9-8;1-5(2,3)4/h2-5,9H,8H2,1H3;(H3,1,2,3,4)
InChIKeyNIRWIZJKLCRCHA-UHFFFAOYSA-N
XLogP0.05
TPSA125.04 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.16
LogP ≤ 50.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)hydrazine;phosphoric acid?
The IUPAC name of (3-methoxyphenyl)hydrazine;phosphoric acid (CID 138619503) is (3-methoxyphenyl)hydrazine;phosphoric acid.
What is the SMILES notation for (3-methoxyphenyl)hydrazine;phosphoric acid?
The canonical SMILES for (3-methoxyphenyl)hydrazine;phosphoric acid is COc1cccc(NN)c1.O=P(O)(O)O.
What is the InChIKey of (3-methoxyphenyl)hydrazine;phosphoric acid?
The InChIKey is NIRWIZJKLCRCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.H3O4P/c1-10-7-4-2-3-6(5-7)9-8;1-5(2,3)4/h2-5,9H,8H2,1H3;(H3,1,2,3,4).
What are the key properties of (3-methoxyphenyl)hydrazine;phosphoric acid?
(3-methoxyphenyl)hydrazine;phosphoric acid has a molecular weight of 236.16 g/mol, XLogP of 0.05, 2 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)hydrazine;phosphoric acid is sourced from PubChem (CID 138619503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).