CID 175394275

C7H9AlN — CID 175394275

IUPAC—
SMILESCc1ccccc1N.[Al]
InChIInChI=1S/C7H9N.Al/c1-6-4-2-3-5-7(6)8;/h2-5H,8H2,1H3;
InChIKeyPKIPMLWHTIDQQG-UHFFFAOYSA-N
MW134.14 g/mol
LogP1.20
Rot. Bonds

About CID 175394275

CID 175394275 (PubChem CID 175394275) has the molecular formula C7H9AlN and a molecular weight of 134.14 g/mol.

Molecular Properties

Compound NameCID 175394275
PubChem CID175394275
Molecular FormulaC7H9AlN
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name—
SMILESCc1ccccc1N.[Al]
InChIInChI=1S/C7H9N.Al/c1-6-4-2-3-5-7(6)8;/h2-5H,8H2,1H3;
InChIKeyPKIPMLWHTIDQQG-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 ≤ 500134.14
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 67897123
CID 67897123
2-methylaniline;dihydrochloride
CID 23331471
CID 159002136
CID 159002136
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
2,6-dimethylaniline;2-methylaniline
CID 160714609
ethane;2-methylaniline;propane
CID 144801075
acetaldehyde;ethane;2-methylaniline
CID 144857558

Frequently Asked Questions

What is the IUPAC name of CID 175394275?
The IUPAC name of CID 175394275 (CID 175394275) is not available.
What is the SMILES notation for CID 175394275?
The canonical SMILES for CID 175394275 is Cc1ccccc1N.[Al].
What is the InChIKey of CID 175394275?
The InChIKey is PKIPMLWHTIDQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.Al/c1-6-4-2-3-5-7(6)8;/h2-5H,8H2,1H3;.
What are the key properties of CID 175394275?
CID 175394275 has a molecular weight of 134.14 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 175394275 is sourced from PubChem (CID 175394275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).