CC(C)(C)C1=CN=CN1
CAS: 21149-98-4
Nom: 5-tert-butyl-1H-imidazole
SMILES: CC(C)(C)C1=CN=CN1

Molecular Processing

Molecular formula
C7H12N2
Molecular weight
124.19
Exact mass
124.1
XLogP
1.71
TPSA
28.68
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
9
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
0.571
Molar refractivity
37.29

Supplementary Information

InChIKey: ULKZTFQDSPKNMV-UHFFFAOYSA-N
Synonymes
21149-98-45-tert-butyl-1H-imidazoleRefChem:537850831-886-44-tert-butyl-1H-imidazole4-tert-butylimidazoleMFCD180646444-(tert-Butyl)-1H-imidazole5-(tert-Butyl)-1H-imidazole4-(1,1-diMethylethyl)-iMidazole1H-Imidazole, 4-(1,1-dimethylethyl)-SCHEMBL680605SCHEMBL1202573SCHEMBL2252845SCHEMBL2588087SCHEMBL27617871ULKZTFQDSPKNMV-UHFFFAOYSA-NALBB-015067AKOS005175068AKOS0376437894-tert-Butyl-1H-imidazole, AldrichCPRAS-35899SY083790DB-341015CS-0171691EN300-194418F301550Z1198749844
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→