3-amino-N-(2H-1,3-benzodioxol-5-ylmethyl)propanamide

3-amino-N-(2H-1,3-benzodioxol-5-ylmethyl)propanamide

Formula: C11H14N2O3

SMILES: NCCC(=O)NCC1=CC=C2OCOC2=C1

IUPAC: 3-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]propanamide

InChI: InChI=1S/C11H14N2O3/c12-4-3-11(14)13-6-8-1-2-9-10(5-8)16-7-15-9/h1-2,5H,3-4,6-7,12H2,(H,13,14)

Composition: C (59.45%), H (6.35%), N (12.61%), O (21.60%)

Molar Mass: 222.244

Atom Count: 30

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	222.100442319
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	RUHPRIHOMDMOCZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.8
Topological Polar Surface Area	73.58
Polarizability	22.91
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C11H14N2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00