(4-phosphanylphenyl)methanamine;hydrate

C7H12NOP — CID 174933242

IUPAC(4-phosphanylphenyl)methanamine;hydrate
SMILESNCc1ccc(P)cc1.O
InChIInChI=1S/C7H10NP.H2O/c8-5-6-1-3-7(9)4-2-6;/h1-4H,5,8-9H2;1H2
InChIKeyDXBCHOHOEMSEQG-UHFFFAOYSA-N
MW157.15 g/mol
LogP-0.18
Rot. Bonds1

About (4-phosphanylphenyl)methanamine;hydrate

(4-phosphanylphenyl)methanamine;hydrate (PubChem CID 174933242) has the molecular formula C7H12NOP and a molecular weight of 157.15 g/mol. Its IUPAC name is (4-phosphanylphenyl)methanamine;hydrate.

Molecular Properties

Compound Name(4-phosphanylphenyl)methanamine;hydrate
PubChem CID174933242
Molecular FormulaC7H12NOP
Molecular Weight157.15 g/mol
Exact Mass157.07
IUPAC Name(4-phosphanylphenyl)methanamine;hydrate
SMILESNCc1ccc(P)cc1.O
InChIInChI=1S/C7H10NP.H2O/c8-5-6-1-3-7(9)4-2-6;/h1-4H,5,8-9H2;1H2
InChIKeyDXBCHOHOEMSEQG-UHFFFAOYSA-N
XLogP-0.18
TPSA57.52 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.15
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-phosphanylphenyl)methanamine;hydrate?
The IUPAC name of (4-phosphanylphenyl)methanamine;hydrate (CID 174933242) is (4-phosphanylphenyl)methanamine;hydrate.
What is the SMILES notation for (4-phosphanylphenyl)methanamine;hydrate?
The canonical SMILES for (4-phosphanylphenyl)methanamine;hydrate is NCc1ccc(P)cc1.O.
What is the InChIKey of (4-phosphanylphenyl)methanamine;hydrate?
The InChIKey is DXBCHOHOEMSEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10NP.H2O/c8-5-6-1-3-7(9)4-2-6;/h1-4H,5,8-9H2;1H2.
What are the key properties of (4-phosphanylphenyl)methanamine;hydrate?
(4-phosphanylphenyl)methanamine;hydrate has a molecular weight of 157.15 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phosphanylphenyl)methanamine;hydrate is sourced from PubChem (CID 174933242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).