2-[(2H-1,3-benzodioxol-5-ylmethyl)amino]butan-1-ol

2-[(2H-1,3-benzodioxol-5-ylmethyl)amino]butan-1-ol

Formula: C12H17NO3

SMILES: CCC(CO)NCC1=CC=C2OCOC2=C1

IUPAC: 2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}butan-1-ol

InChI: InChI=1/C12H17NO3/c1-2-10(7-14)13-6-9-3-4-11-12(5-9)16-8-15-11/h3-5,10,13-14H,2,6-8H2,1H3

Composition: C (64.55%), H (7.67%), N (6.27%), O (21.50%)

Molar Mass: 223.272

Atom Count: 33

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	223.120843411
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	BAGYVQMSXHKUFC-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.31
Topological Polar Surface Area	50.72
Polarizability	24.14
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H17NO3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00