3-amino-4-(methylamino)benzamide

3-amino-4-(methylamino)benzamide

CAS: 39033-67-5

Formula: C8H11N3O

SMILES: CNC1=C(N)C=C(C=C1)C(N)=O

IUPAC: 3-amino-4-(methylamino)benzamide

InChI: InChI=1S/C8H11N3O/c1-11-7-3-2-5(8(10)12)4-6(7)9/h2-4,11H,9H2,1H3,(H2,10,12)

Composition: C (58.17%), H (6.71%), N (25.44%), O (9.68%)

Molar Mass: 165.196

Atom Count: 23

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	165.090211986
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	MWUPFYDPRKUXOP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.03
Topological Polar Surface Area	81.14
Polarizability	17.29
Ring Count	1
Rotatable Bond Count	2

Suppliers

Key Organics Ltd

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	39033-67-5		$51.35-$449.02$51.35$63.37$86.31$292.79$449.02