methyl 3-amino-4-(methylamino)benzoate

methyl 3-amino-4-(methylamino)benzoate

CAS: 66315-16-0

Formula: C9H12N2O2

SMILES: CNC1=CC=C(C=C1N)C(=O)OC

IUPAC: methyl 3-amino-4-(methylamino)benzoate

InChI: InChI=1S/C9H12N2O2/c1-11-8-4-3-6(5-7(8)10)9(12)13-2/h3-5,11H,10H2,1-2H3

Composition: C (59.99%), H (6.71%), N (15.55%), O (17.76%)

Molar Mass: 180.207

Atom Count: 25

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	180.089877634
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	UOQRESVEXATCGD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.98
Topological Polar Surface Area	64.35
Polarizability	18.88
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<5 Days	66315-16-0		$42.87-$482.96$42.87$95.84$409.83$482.96