6-tert-butylisoquinoline

6-tert-butylisoquinoline

CAS: 16955-87-6

Formula: C13H15N

SMILES: CC(C)(C)C1=CC2=CC=NC=C2C=C1

IUPAC: 6-tert-butylisoquinoline

InChI: InChI=1S/C13H15N/c1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12/h4-9H,1-3H3

Composition: C (84.28%), H (8.16%), N (7.56%)

Molar Mass: 185.27

Atom Count: 29

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	185.120449487
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	RQYSCFCTWZGMRU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.02
Topological Polar Surface Area	12.89
Polarizability	24.37
Ring Count	2
Rotatable Bond Count	1

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