3-phosphanylaniline;hydrate

C6H10NOP — CID 172853905

IUPAC3-phosphanylaniline;hydrate
SMILESNc1cccc(P)c1.O
InChIInChI=1S/C6H8NP.H2O/c7-5-2-1-3-6(8)4-5;/h1-4H,7-8H2;1H2
InChIKeyJWZNXUZZUSOBLJ-UHFFFAOYSA-N
MW143.13 g/mol
LogP-0.06
Rot. Bonds

About 3-phosphanylaniline;hydrate

3-phosphanylaniline;hydrate (PubChem CID 172853905) has the molecular formula C6H10NOP and a molecular weight of 143.13 g/mol. Its IUPAC name is 3-phosphanylaniline;hydrate.

Molecular Properties

Compound Name3-phosphanylaniline;hydrate
PubChem CID172853905
Molecular FormulaC6H10NOP
Molecular Weight143.13 g/mol
Exact Mass143.05
IUPAC Name3-phosphanylaniline;hydrate
SMILESNc1cccc(P)c1.O
InChIInChI=1S/C6H8NP.H2O/c7-5-2-1-3-6(8)4-5;/h1-4H,7-8H2;1H2
InChIKeyJWZNXUZZUSOBLJ-UHFFFAOYSA-N
XLogP-0.06
TPSA57.52 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.13
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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benzene-1,3-diamine
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benzene-1,3-diamine;hydron
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benzene-1,3-diamine;hydron;dichloride
CID 74764421
3-[(3-aminophenyl)disulfanyl]aniline
CID 11172703
CID 23586184
CID 23586184
3-aminobenzenethiol;methanol
CID 145250249
3-(3-aminophenyl)aniline;sulfane
CID 175159845
3-methylaniline
CID 7934
CID 141280926
CID 141280926
3-[(3-aminophenyl)-methylphosphanyl]aniline;hydrate
CID 174964346

Frequently Asked Questions

What is the IUPAC name of 3-phosphanylaniline;hydrate?
The IUPAC name of 3-phosphanylaniline;hydrate (CID 172853905) is 3-phosphanylaniline;hydrate.
What is the SMILES notation for 3-phosphanylaniline;hydrate?
The canonical SMILES for 3-phosphanylaniline;hydrate is Nc1cccc(P)c1.O.
What is the InChIKey of 3-phosphanylaniline;hydrate?
The InChIKey is JWZNXUZZUSOBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NP.H2O/c7-5-2-1-3-6(8)4-5;/h1-4H,7-8H2;1H2.
What are the key properties of 3-phosphanylaniline;hydrate?
3-phosphanylaniline;hydrate has a molecular weight of 143.13 g/mol, XLogP of -0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phosphanylaniline;hydrate is sourced from PubChem (CID 172853905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).