COC(=O)C1=CC2=C(CCCN2)C=C1
CAS: 597562-79-3
Name: methyl 1,2,3,4-tetrahydroquinoline-7-carboxylate
SMILES: COC(=O)C1=CC2=C(CCCN2)C=C1

Molecular Processing

Molecular formula
C11H13NO2
Molecular weight
191.23
Exact mass
191.0946
XLogP
1.83
TPSA
38.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
54.59

Supplementary Information

InChIKey: BDMQUHKEECRIDC-UHFFFAOYSA-N
Synonyme
597562-79-3methyl 1,2,3,4-tetrahydroquinoline-7-carboxylateRefChem:812472827-662-01,2,3,4-TETRAHYDRO-QUINOLINE-7-CARBOXYLIC ACID METHYL ESTERMFCD085442721,2,3,4-TETRAHYDRO-QUINOLINE-7-CARBOXYLIC ACID METHYL ESTER HYDROCHLORIDESCHEMBL554225SCHEMBL30955089BDMQUHKEECRIDC-UHFFFAOYSA-NSB37861BS-29126SY283246CS-0107313Methyl 1234-tetrahydroquinoline-7-carboxylateD76727EN300-374211methyl1,2,3,4-tetrahydroquinoline-7-carboxylateF612343Methyl 1,2,3,4-tetrahydro-quinoline-7-carboxylate
Quelle anzeigen →
An 12 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→