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Benzaldehyde, 4-amino-3-(1,1-dimethylethyl)- structure

Benzaldehyde, 4-amino-3-(1,1-dimethylethyl)- structure

Benzaldehyde, 4-amino-3-(1,1-dimethylethyl)-

Iupac Name：4-amino-3-tert-butylbenzaldehyde

CAS No.：1289031-68-0

Molecular Weight：177.24

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1. Names and Identifiers

1.1 Name: Benzaldehyde, 4-amino-3-(1,1-dimethylethyl)-

2. Properties

3.1 Density: 1.042±0.06 g/cm3(Predicted)

3.1 Boiling point: 299.1±28.0 °C(Predicted)

3.1 pKa: 1.06±0.10(Predicted)

3. Computational chemical data

Molecular Weight：177.24g/mol
Molecular Formula：C₁₁H₁₅NO
Compound Is Canonicalized：True
XLogP3-AA：2.4
Exact Mass：177.115364102
Monoisotopic Mass：177.115364102
Complexity：183
Rotatable Bond Count：2
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：2
Topological Polar Surface Area：43.1
Heavy Atom Count：13
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1

Directory

1. Names and Identifiers

1.4 Molecular Formula

1.7 Canonical Smiles

1.8 Isomers Smiles

2. Properties

3.1 Boiling point

3.Computational chemical data