2-(piperidin-1-ylmethyl)aniline; sulfuric acid

2-(piperidin-1-ylmethyl)aniline; sulfuric acid

CAS: 1185494-43-2

Formula: C12H20N2O4S

SMILES: OS(O)(=O)=O.NC1=C(CN2CCCCC2)C=CC=C1

IUPAC: 2-[(piperidin-1-yl)methyl]aniline; sulfuric acid

InChI: InChI=1S/C12H18N2.H2O4S/c13-12-7-3-2-6-11(12)10-14-8-4-1-5-9-14;1-5(2,3)4/h2-3,6-7H,1,4-5,8-10,13H2;(H2,1,2,3,4)

Composition: C (49.98%), H (6.99%), N (9.71%), O (22.19%), S (11.12%)

Molar Mass: 288.36

Atom Count: 39

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	288.114378306
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	JTINXKLGLPAALL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.44
Topological Polar Surface Area	29.26
Polarizability	23.35
Ring Count	2
Rotatable Bond Count	2

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95%	<4 Days	1185494-43-2		$28.75-$708.40$28.75$93.15$189.75$465.75$708.40