C1CNCC2=CC=CC=C21
CAS: 91-21-4
Nom: 1,2,3,4-tetrahydroisoquinoline
SMILES: C1CNCC2=CC=CC=C21

Molecular Processing

Molecular formula
C9H11N
Molecular weight
133.19
Exact mass
133.0891
XLogP
1.33
TPSA
12.03
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
10
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
41.85

Supplementary Information

InChIKey: UWYZHKAOTLEWKK-UHFFFAOYSA-N
Synonymes
1,2,3,4-Tetrahydroisoquinoline91-21-4Tetrahydroisoquinoline1,2,3,4-Tetrahydro-isoquinolineISOQUINOLINE, 1,2,3,4-TETRAHYDRO-3,4-dihydro-1H-isoquinoline1,2,3,4-Tetrahydro-2-azanaphthaleneDTXSID602611556W89FBX3ENSC-15312DTXCID106115RefChem:71317202-050-0MFCD000068961,2,3,4-Tetrahydro isoquinoline1,2,3,4-Tetrahydro-2-isoquinolineCHEMBL14346tetrahydro-isoquinolineEINECS 202-050-0NSC 15312BRN 0116156AI3-159311,2,3,4-Tetrahydro-2-azanaphthalene; 1,2,3,4-Tetrahydro-2-isoquinoline; 1,2,3,4-Tetrahydroisoquinoline; 3,4-Dihydro-1H-isoquinoline; NSC 15312;2CKtetrahyroisoquinolineTHIQ 6EC 202-050-0SCHEMBL2998UNII-56W89FBX3Eracemic tetrahydroisoquinoline
Voir la source →
Impliqué dans 563 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→