2-(azepan-1-ylmethyl)-4-methoxybenzaldehyde

2-(azepan-1-ylmethyl)-4-methoxybenzaldehyde

CAS: 1119452-30-0

Formula: C15H21NO2

SMILES: COC1=CC(CN2CCCCCC2)=C(C=O)C=C1

IUPAC: 2-[(azepan-1-yl)methyl]-4-methoxybenzaldehyde

InChI: InChI=1S/C15H21NO2/c1-18-15-7-6-13(12-17)14(10-15)11-16-8-4-2-3-5-9-16/h6-7,10,12H,2-5,8-9,11H2,1H3

Composition: C (72.84%), H (8.56%), N (5.66%), O (12.94%)

Molar Mass: 247.338

Atom Count: 39

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	247.15722892
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	DJHCBWIPUKKNTQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.39
Topological Polar Surface Area	29.54
Polarizability	28.43
Ring Count	2
Rotatable Bond Count	4

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