CC(C)(C)c1ccc(O)c(CN)c1.Cl
Name: 2-aminomethyl-4-(1,1-dimethylethyl)-phenol hydrochloride
SMILES: CC(C)(C)c1ccc(O)c(CN)c1.Cl

Molecular Processing

Molecular formula
C11H18ClNO
Molecular weight
215.72
Exact mass
215.1077
XLogP
2.57
TPSA
46.25
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
2
Fraction Csp3
0.455
Molar refractivity
61.95

Supplementary Information

Details werden geladen…

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