CCN(CC)C1=C(C=C(C=C1)C=O)C(C)(C)C
名称: 3-tert-butyl-4-(diethylamino)benzaldehyde
SMILES: CCN(CC)C1=C(C=C(C=C1)C=O)C(C)(C)C

Molecular Processing

Molecular formula
C15H23NO
Molecular weight
233.35
Exact mass
233.178
XLogP
3.64
TPSA
20.31
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
74.09

Supplementary Information

InChIKey: DMGFTQIMZFLPOQ-UHFFFAOYSA-N
同義語
SCHEMBL1864187DMGFTQIMZFLPOQ-UHFFFAOYSA-N3-tert-butyl-4-diethylaminobenzaldehyde3-tert-butyl-4-diethylamino-benzaldehyde
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