5-[(dimethylamino)methyl]-2-methoxybenzaldehyde hydrochloride

5-[(dimethylamino)methyl]-2-methoxybenzaldehyde hydrochloride

CAS: 1185300-72-4

Formula: C11H16ClNO2

SMILES: Cl.COC1=C(C=O)C=C(CN(C)C)C=C1

IUPAC: 5-[(dimethylamino)methyl]-2-methoxybenzaldehyde hydrochloride

InChI: InChI=1S/C11H15NO2.ClH/c1-12(2)7-9-4-5-11(14-3)10(6-9)8-13;/h4-6,8H,7H2,1-3H3;1H

Composition: C (57.52%), H (7.02%), Cl (15.43%), N (6.10%), O (13.93%)

Molar Mass: 229.7

Atom Count: 31

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	229.0869565
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	INXMIUPUFMJUSF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.65
Topological Polar Surface Area	29.54
Polarizability	21.79
Ring Count	1
Rotatable Bond Count	4

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