N-[1-(2H-1,3-benzodioxol-5-yl)ethyl]hydroxylamine

N-[1-(2H-1,3-benzodioxol-5-yl)ethyl]hydroxylamine

CAS: 904813-15-6

Formula: C9H11NO3

SMILES: CC(NO)C1=CC2=C(OCO2)C=C1

IUPAC: N-[1-(2H-1,3-benzodioxol-5-yl)ethyl]hydroxylamine

InChI: InChI=1/C9H11NO3/c1-6(10-11)7-2-3-8-9(4-7)13-5-12-8/h2-4,6,10-11H,5H2,1H3

Composition: C (59.66%), H (6.12%), N (7.73%), O (26.49%)

Molar Mass: 181.191

Atom Count: 24

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	181.073893218
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	WWRLSUUKNVPKEX-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.97
Topological Polar Surface Area	50.72
Polarizability	18.63
Ring Count	2
Rotatable Bond Count	2

Suppliers

Kinentia Biosciences LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<14 Days	904813-15-6		$170.10-$255.15$170.10$255.15