CID 159002136

C7H9NNa — CID 159002136

IUPAC—
SMILESCc1ccccc1N.[Na]
InChIInChI=1S/C7H9N.Na/c1-6-4-2-3-5-7(6)8;/h2-5H,8H2,1H3;
InChIKeyJRLSWTFQLSLRAI-UHFFFAOYSA-N
MW130.15 g/mol
LogP1.20
Rot. Bonds

About CID 159002136

CID 159002136 (PubChem CID 159002136) has the molecular formula C7H9NNa and a molecular weight of 130.15 g/mol.

Molecular Properties

Compound NameCID 159002136
PubChem CID159002136
Molecular FormulaC7H9NNa
Molecular Weight130.15 g/mol
Exact Mass130.06
IUPAC Name—
SMILESCc1ccccc1N.[Na]
InChIInChI=1S/C7H9N.Na/c1-6-4-2-3-5-7(6)8;/h2-5H,8H2,1H3;
InChIKeyJRLSWTFQLSLRAI-UHFFFAOYSA-N
XLogP1.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 175394275
CID 175394275
CID 67897123
CID 67897123
2-methylaniline;dihydrochloride
CID 23331471
tris(2-methylaniline);phosphane
CID 158408493
ethane;methanamine;2-methylaniline
CID 91356397
deuteriomethane;2-methylaniline
CID 90744870
N,N-dimethylmethanamine;2-methylaniline
CID 174412120
2-methylaniline;2-methylpropane
CID 91027920
bis(2-methylaniline);propane
CID 158079245
ethane;2-methylaniline;propane
CID 144801075
2,6-dimethylaniline;2-methylaniline
CID 160714609
acetaldehyde;ethane;2-methylaniline
CID 144857558

Frequently Asked Questions

What is the IUPAC name of CID 159002136?
The IUPAC name of CID 159002136 (CID 159002136) is not available.
What is the SMILES notation for CID 159002136?
The canonical SMILES for CID 159002136 is Cc1ccccc1N.[Na].
What is the InChIKey of CID 159002136?
The InChIKey is JRLSWTFQLSLRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.Na/c1-6-4-2-3-5-7(6)8;/h2-5H,8H2,1H3;.
What are the key properties of CID 159002136?
CID 159002136 has a molecular weight of 130.15 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159002136 is sourced from PubChem (CID 159002136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).