sodium N,N-dimethylaniline

C8H10NNa — CID 137350226

IUPACsodium N,N-dimethylaniline
SMILESCN(C)c1c[c-]ccc1.[Na+]
InChIInChI=1S/C8H10N.Na/c1-9(2)8-6-4-3-5-7-8;/h3-4,6-7H,1-2H3;/q-1;+1
InChIKeyRFSBYBKGHZQZPE-UHFFFAOYSA-N
MW143.16 g/mol
LogP-1.44
Rot. Bonds1

About sodium N,N-dimethylaniline

sodium N,N-dimethylaniline (PubChem CID 137350226) has the molecular formula C8H10NNa and a molecular weight of 143.16 g/mol. Its IUPAC name is sodium N,N-dimethylaniline.

Molecular Properties

Compound Namesodium N,N-dimethylaniline
PubChem CID137350226
Molecular FormulaC8H10NNa
Molecular Weight143.16 g/mol
Exact Mass143.07
IUPAC Namesodium N,N-dimethylaniline
SMILESCN(C)c1c[c-]ccc1.[Na+]
InChIInChI=1S/C8H10N.Na/c1-9(2)8-6-4-3-5-7-8;/h3-4,6-7H,1-2H3;/q-1;+1
InChIKeyRFSBYBKGHZQZPE-UHFFFAOYSA-N
XLogP-1.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 5-1.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium N,N-dimethylaniline?
The IUPAC name of sodium N,N-dimethylaniline (CID 137350226) is sodium N,N-dimethylaniline.
What is the SMILES notation for sodium N,N-dimethylaniline?
The canonical SMILES for sodium N,N-dimethylaniline is CN(C)c1c[c-]ccc1.[Na+].
What is the InChIKey of sodium N,N-dimethylaniline?
The InChIKey is RFSBYBKGHZQZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N.Na/c1-9(2)8-6-4-3-5-7-8;/h3-4,6-7H,1-2H3;/q-1;+1.
What are the key properties of sodium N,N-dimethylaniline?
sodium N,N-dimethylaniline has a molecular weight of 143.16 g/mol, XLogP of -1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N,N-dimethylaniline is sourced from PubChem (CID 137350226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).