aminomethylphosphonic acid;azane

CH12N3O3P — CID 173452353

IUPACaminomethylphosphonic acid;azane
SMILESN.N.NCP(=O)(O)O
InChIInChI=1S/CH6NO3P.2H3N/c2-1-6(3,4)5;;/h1-2H2,(H2,3,4,5);2*1H3
InChIKeyXAOPUVDJKZQBMH-UHFFFAOYSA-N
MW145.10 g/mol
LogP-0.60
Rot. Bonds1

About aminomethylphosphonic acid;azane

aminomethylphosphonic acid;azane (PubChem CID 173452353) has the molecular formula CH12N3O3P and a molecular weight of 145.10 g/mol. Its IUPAC name is aminomethylphosphonic acid;azane.

Molecular Properties

Compound Nameaminomethylphosphonic acid;azane
PubChem CID173452353
Molecular FormulaCH12N3O3P
Molecular Weight145.10 g/mol
Exact Mass145.06
IUPAC Nameaminomethylphosphonic acid;azane
SMILESN.N.NCP(=O)(O)O
InChIInChI=1S/CH6NO3P.2H3N/c2-1-6(3,4)5;;/h1-2H2,(H2,3,4,5);2*1H3
InChIKeyXAOPUVDJKZQBMH-UHFFFAOYSA-N
XLogP-0.60
TPSA153.55 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.10
LogP ≤ 5-0.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

aminomethylphosphonic acid;hydrate
CID 172785575
aminomethylphosphonic acid;butane-1,4-diamine
CID 159694397
aminomethylphosphonic acid;methanesulfonic acid
CID 173452453
aminomethylphosphonic acid;oxaldehydic acid
CID 19801371
[azanyl(dideuterio)(113C)methyl]phosphonic acid
CID 172990165
azane;phosphonomethylphosphonic acid
CID 18674565
azane;hydroxymethylphosphonic acid
CID 175028252
azanide;bis(aminomethyl)phosphinic acid;zinc
CID 6394823
aminomethyl(methyl)phosphinic acid;methylphosphonic acid
CID 158616080
azane;hydroxylamine;phosphoric acid
CID 173277328
[aminomethyl(phosphonomethoxy)phosphoryl]oxymethylphosphonic acid
CID 54475795
azane;phosphoric acid
CID 174789402

Frequently Asked Questions

What is the IUPAC name of aminomethylphosphonic acid;azane?
The IUPAC name of aminomethylphosphonic acid;azane (CID 173452353) is aminomethylphosphonic acid;azane.
What is the SMILES notation for aminomethylphosphonic acid;azane?
The canonical SMILES for aminomethylphosphonic acid;azane is N.N.NCP(=O)(O)O.
What is the InChIKey of aminomethylphosphonic acid;azane?
The InChIKey is XAOPUVDJKZQBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/CH6NO3P.2H3N/c2-1-6(3,4)5;;/h1-2H2,(H2,3,4,5);2*1H3.
What are the key properties of aminomethylphosphonic acid;azane?
aminomethylphosphonic acid;azane has a molecular weight of 145.10 g/mol, XLogP of -0.60, 1 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethylphosphonic acid;azane is sourced from PubChem (CID 173452353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).