CC1=NCCC2=CC=CC=C12
CAS: 2412-58-0
Name: 1-methyl-3,4-dihydroisoquinoline
SMILES: CC1=NCCC2=CC=CC=C12

Molecular Processing

Molecular formula
C10H11N
Molecular weight
145.2
Exact mass
145.0891
XLogP
2.05
TPSA
12.36
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
11
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
0.3
Molar refractivity
47.22

Supplementary Information

InChIKey: JZZLDIIDMFCOGF-UHFFFAOYSA-N
Synonyme
1-Methyl-3,4-dihydroisoquinoline2412-58-0DTXSID309469471MeDIQ compoundRefChem:76249DTXCID80929301800-807-5NSC27893MFCD00047648SCHEMBL30310orb2645542SCHEMBL29385430SCHEMBL306952701-methyl-3,4-dihyroisoquinoline1-methyl-3,4 dihydroisoquinoline1-methyl-3,4-dihydro-isoquinolineCAA41258NSC-27893AKOS006229266SY119876(+/-) 1-methyl-3,4-dihydroisoquinolineDB-354524DS-001046CS-0152737ISOQUINOLINE,3,4-DIHYDRO-1-METHYL-EN300-182056F303255
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