3-amino-4-(4-methylpiperazin-1-yl)benzamide

3-amino-4-(4-methylpiperazin-1-yl)benzamide

CAS: 842961-35-7

Formula: C12H18N4O

SMILES: CN1CCN(CC1)C1=C(N)C=C(C=C1)C(N)=O

IUPAC: 3-amino-4-(4-methylpiperazin-1-yl)benzamide

InChI: InChI=1S/C12H18N4O/c1-15-4-6-16(7-5-15)11-3-2-9(12(14)17)8-10(11)13/h2-3,8H,4-7,13H2,1H3,(H2,14,17)

Composition: C (61.52%), H (7.74%), N (23.91%), O (6.83%)

Molar Mass: 234.303

Atom Count: 35

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	234.148061216
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	PNBRWUAYRRTAPB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.32
Topological Polar Surface Area	75.59
Polarizability	25.45
Ring Count	2
Rotatable Bond Count	2

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