4-amino-2-methylisoindole-1,3-dione

4-amino-2-methylisoindole-1,3-dione

CAS: 2257-85-4

Formula: C9H8N2O2

SMILES: CN1C(=O)C2=C(C1=O)C(N)=CC=C2

IUPAC: 4-amino-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione

InChI: InChI=1S/C9H8N2O2/c1-11-8(12)5-3-2-4-6(10)7(5)9(11)13/h2-4H,10H2,1H3

Composition: C (61.36%), H (4.58%), N (15.90%), O (18.16%)

Molar Mass: 176.175

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	176.058577506
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MQJSMQLGNZNTFD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.91
Topological Polar Surface Area	63.4
Polarizability	17.15
Ring Count	2
Rotatable Bond Count	0

Suppliers

Life Chemicals USA, Inc.

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	2257-85-4		$158.40-$2,405.70$158.40$227.70$331.65$725.67$1,316.70$2,405.70