C1=CC(=CC=C1C#N)C(CCO)N
CAS: 683220-88-4
Name: 4-(1-amino-3-hydroxypropyl)benzonitrile
SMILES: C1=CC(=CC=C1C#N)C(CCO)N

Molecular Processing

Molecular formula
C10H12N2O
Molecular weight
176.22
Exact mass
176.095
XLogP
0.94
TPSA
70.04
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
49.79

Supplementary Information

InChIKey: QICRBYRLJLGTLL-UHFFFAOYSA-N
Synonyme
4-(1-amino-3-hydroxypropyl)benzonitrile683220-88-4SCHEMBL391676EN300-1868673
Quelle anzeigen →
An 2 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→