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methyl 6-amino-3,4-dihydro-2H-quinoline-1-carboxylate

methyl 6-amino-3,4-dihydro-2H-quinoline-1-carboxylate

CAS: 893773-96-1

Formula: C11H14N2O2

SMILES: COC(=O)N1CCCC2=CC(N)=CC=C12

IUPAC: methyl 6-amino-1,2,3,4-tetrahydroquinoline-1-carboxylate

InChI: InChI=1S/C11H14N2O2/c1-15-11(14)13-6-2-3-8-7-9(12)4-5-10(8)13/h4-5,7H,2-3,6,12H2,1H3

Composition: C (64.06%), H (6.84%), N (13.58%), O (15.51%)

Molar Mass: 206.245

Atom Count: 29

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 206.105527699
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey NRFKTHKRWVPCRM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.27
Topological Polar Surface Area 55.56
Polarizability 21.84
Ring Count 2
Rotatable Bond Count 1

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