disodium;N,N-dimethyl-1-phenylmethanamine;hydrogen phosphate;hydrochloride

C9H15ClNNa2O4P — CID 174826908

IUPACdisodium;N,N-dimethyl-1-phenylmethanamine;hydrogen phosphate;hydrochloride
SMILESCN(C)Cc1ccccc1.Cl.O=P([O-])([O-])O.[Na+].[Na+]
InChIInChI=1S/C9H13N.ClH.2Na.H3O4P/c1-10(2)8-9-6-4-3-5-7-9;;;;1-5(2,3)4/h3-7H,8H2,1-2H3;1H;;;(H3,1,2,3,4)/q;;2*+1;/p-2
InChIKeyARUXMLWVHSBWFF-UHFFFAOYSA-L
MW313.63 g/mol
LogP-6.01
Rot. Bonds2

About disodium;N,N-dimethyl-1-phenylmethanamine;hydrogen phosphate;hydrochloride

disodium;N,N-dimethyl-1-phenylmethanamine;hydrogen phosphate;hydrochloride (PubChem CID 174826908) has the molecular formula C9H15ClNNa2O4P and a molecular weight of 313.63 g/mol. Its IUPAC name is disodium;N,N-dimethyl-1-phenylmethanamine;hydrogen phosphate;hydrochloride.

Molecular Properties

Compound Namedisodium;N,N-dimethyl-1-phenylmethanamine;hydrogen phosphate;hydrochloride
PubChem CID174826908
Molecular FormulaC9H15ClNNa2O4P
Molecular Weight313.63 g/mol
Exact Mass313.02
IUPAC Namedisodium;N,N-dimethyl-1-phenylmethanamine;hydrogen phosphate;hydrochloride
SMILESCN(C)Cc1ccccc1.Cl.O=P([O-])([O-])O.[Na+].[Na+]
InChIInChI=1S/C9H13N.ClH.2Na.H3O4P/c1-10(2)8-9-6-4-3-5-7-9;;;;1-5(2,3)4/h3-7H,8H2,1-2H3;1H;;;(H3,1,2,3,4)/q;;2*+1;/p-2
InChIKeyARUXMLWVHSBWFF-UHFFFAOYSA-L
XLogP-6.01
TPSA86.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.63
LogP ≤ 5-6.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 155774731
N,N-dimethyl-1-phenylmethanamine;ethane;N-methylmethanamine
CID 91426963
1-(4-diphenylphosphanylphenyl)-N,N-dimethylmethanamine
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N,N-dimethyl-1-phenylmethanamine;1H-pyrrole
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N,N-dimethyl-1-phenylmethanamine;N-ethyl-N-methylethanamine
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Frequently Asked Questions

What is the IUPAC name of disodium;N,N-dimethyl-1-phenylmethanamine;hydrogen phosphate;hydrochloride?
The IUPAC name of disodium;N,N-dimethyl-1-phenylmethanamine;hydrogen phosphate;hydrochloride (CID 174826908) is disodium;N,N-dimethyl-1-phenylmethanamine;hydrogen phosphate;hydrochloride.
What is the SMILES notation for disodium;N,N-dimethyl-1-phenylmethanamine;hydrogen phosphate;hydrochloride?
The canonical SMILES for disodium;N,N-dimethyl-1-phenylmethanamine;hydrogen phosphate;hydrochloride is CN(C)Cc1ccccc1.Cl.O=P([O-])([O-])O.[Na+].[Na+].
What is the InChIKey of disodium;N,N-dimethyl-1-phenylmethanamine;hydrogen phosphate;hydrochloride?
The InChIKey is ARUXMLWVHSBWFF-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H13N.ClH.2Na.H3O4P/c1-10(2)8-9-6-4-3-5-7-9;;;;1-5(2,3)4/h3-7H,8H2,1-2H3;1H;;;(H3,1,2,3,4)/q;;2*+1;/p-2.
What are the key properties of disodium;N,N-dimethyl-1-phenylmethanamine;hydrogen phosphate;hydrochloride?
disodium;N,N-dimethyl-1-phenylmethanamine;hydrogen phosphate;hydrochloride has a molecular weight of 313.63 g/mol, XLogP of -6.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;N,N-dimethyl-1-phenylmethanamine;hydrogen phosphate;hydrochloride is sourced from PubChem (CID 174826908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).