methyl 3-amino-4-(aminomethyl)benzoate

methyl 3-amino-4-(aminomethyl)benzoate

Formula: C9H12N2O2

SMILES: COC(=O)C1=CC(N)=C(CN)C=C1

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

InChI: InChI=1S/C9H12N2O2/c1-13-9(12)6-2-3-7(5-10)8(11)4-6/h2-4H,5,10-11H2,1H3

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	GASCKTFGJNNFTO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.26
Topological Polar Surface Area	78.34
Polarizability	19.25
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C9H12N2O2		Quote Only