1-(3-bromo-4,5-diethoxyphenyl)methanamine hydrochloride

1-(3-bromo-4,5-diethoxyphenyl)methanamine hydrochloride

CAS: 1052510-28-7

Formula: C11H17BrClNO2

SMILES: Cl.CCOC1=CC(CN)=CC(Br)=C1OCC

IUPAC: 1-(3-bromo-4,5-diethoxyphenyl)methanamine hydrochloride

InChI: InChI=1S/C11H16BrNO2.ClH/c1-3-14-10-6-8(7-13)5-9(12)11(10)15-4-2;/h5-6H,3-4,7,13H2,1-2H3;1H

Composition: C (42.54%), H (5.52%), Br (25.72%), Cl (11.41%), N (4.51%), O (10.30%)

Molar Mass: 310.62

Atom Count: 33

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	309.013119
Formal Charge	0
FSP3	0.45
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	DFCLGUYOJMWHDJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.58
Topological Polar Surface Area	44.48
Polarizability	25.19
Ring Count	1
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1052510-28-7		$397.22-$1,021.41$397.22$1,021.41