(2H-1,3-benzodioxol-5-ylmethyl)[(2-methoxyphenyl)methyl]amine hydrochloride

(2H-1,3-benzodioxol-5-ylmethyl)[(2-methoxyphenyl)methyl]amine hydrochloride

CAS: 1158592-92-7

Formula: C16H18ClNO3

SMILES: Cl.COC1=C(CNCC2=CC3=C(OCO3)C=C2)C=CC=C1

IUPAC: [(2H-1,3-benzodioxol-5-yl)methyl][(2-methoxyphenyl)methyl]amine hydrochloride

InChI: InChI=1S/C16H17NO3.ClH/c1-18-14-5-3-2-4-13(14)10-17-9-12-6-7-15-16(8-12)20-11-19-15;/h2-8,17H,9-11H2,1H3;1H

Composition: C (62.44%), H (5.90%), Cl (11.52%), N (4.55%), O (15.59%)

Molar Mass: 307.77

Atom Count: 39

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	307.0975211
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	XRMGYPKSMQYOHW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.15
Topological Polar Surface Area	39.72
Polarizability	30.11
Ring Count	3
Rotatable Bond Count	5

Suppliers

MATRIX SCIENTIFIC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1158592-92-7		$404.27$404.27