sodium phenylmethanamine

C7H9NNa+ — CID 172793696

IUPACsodium phenylmethanamine
SMILESNCc1ccccc1.[Na+]
InChIInChI=1S/C7H9N.Na/c8-6-7-4-2-1-3-5-7;/h1-5H,6,8H2;/q;+1
InChIKeyPXKWYUYQHLVTGX-UHFFFAOYSA-N
MW130.15 g/mol
LogP-1.85
Rot. Bonds1

About sodium phenylmethanamine

sodium phenylmethanamine (PubChem CID 172793696) has the molecular formula C7H9NNa+ and a molecular weight of 130.15 g/mol. Its IUPAC name is sodium phenylmethanamine.

Molecular Properties

Compound Namesodium phenylmethanamine
PubChem CID172793696
Molecular FormulaC7H9NNa+
Molecular Weight130.15 g/mol
Exact Mass130.06
IUPAC Namesodium phenylmethanamine
SMILESNCc1ccccc1.[Na+]
InChIInChI=1S/C7H9N.Na/c8-6-7-4-2-1-3-5-7;/h1-5H,6,8H2;/q;+1
InChIKeyPXKWYUYQHLVTGX-UHFFFAOYSA-N
XLogP-1.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-1.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

phenylmethanamine
CID 19864074
phenylmethanamine;trihydrobromide
CID 175177372
phenylmethanamine;dodecahydrobromide
CID 175510511
phenylmethanamine;titanium(2+)
CID 21287655
CID 174688914
CID 174688914
ethane;phenylmethanamine;vanadium
CID 158602574
difluoromethane;phenylmethanamine
CID 156875485
oxygen(2-);phenylmethanamine;vanadium;hydroxide
CID 11715324
2,2-dimethylpropane;phenylmethanamine
CID 158787980
dibromolead;phenylmethanamine
CID 175060358
carbon dioxide;phenylmethanamine
CID 123245363
phenylmethanamine;tetramethylazanium;hydroxide
CID 174471017

Frequently Asked Questions

What is the IUPAC name of sodium phenylmethanamine?
The IUPAC name of sodium phenylmethanamine (CID 172793696) is sodium phenylmethanamine.
What is the SMILES notation for sodium phenylmethanamine?
The canonical SMILES for sodium phenylmethanamine is NCc1ccccc1.[Na+].
What is the InChIKey of sodium phenylmethanamine?
The InChIKey is PXKWYUYQHLVTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.Na/c8-6-7-4-2-1-3-5-7;/h1-5H,6,8H2;/q;+1.
What are the key properties of sodium phenylmethanamine?
sodium phenylmethanamine has a molecular weight of 130.15 g/mol, XLogP of -1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium phenylmethanamine is sourced from PubChem (CID 172793696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).