N-(2H-1,3-benzodioxol-5-ylmethyl)-1H-1,3-benzodiazol-2-amine

N-(2H-1,3-benzodioxol-5-ylmethyl)-1H-1,3-benzodiazol-2-amine

Formula: C15H13N3O2

SMILES: C(NC1=NC2=CC=CC=C2N1)C1=CC2=C(OCO2)C=C1

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

InChI: InChI=1S/C15H13N3O2/c1-2-4-12-11(3-1)17-15(18-12)16-8-10-5-6-13-14(7-10)20-9-19-13/h1-7H,8-9H2,(H2,16,17,18)

Composition: C (67.40%), H (4.90%), N (15.72%), O (11.97%)

Molar Mass: 267.288

Atom Count: 33

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	267.100776671
Formal Charge	0
FSP3	0.13
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	QXKFXLLCKVUQPZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.02
Topological Polar Surface Area	59.17
Polarizability	29.67
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C15H13N3O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00