4-(aminomethyl)-2-(4-methylpiperazin-1-yl)phenol

4-(aminomethyl)-2-(4-methylpiperazin-1-yl)phenol

CAS: 887577-33-5

Formula: C12H19N3O

SMILES: CN1CCN(CC1)C1=C(O)C=CC(CN)=C1

IUPAC: 4-(aminomethyl)-2-(4-methylpiperazin-1-yl)phenol

InChI: InChI=1S/C12H19N3O/c1-14-4-6-15(7-5-14)11-8-10(9-13)2-3-12(11)16/h2-3,8,16H,4-7,9,13H2,1H3

Composition: C (65.13%), H (8.65%), N (18.99%), O (7.23%)

Molar Mass: 221.304

Atom Count: 35

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	221.152812244
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	CYPZCHKPNLZHMF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.99
Topological Polar Surface Area	52.73
Polarizability	25.44
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	887577-33-5		$2,200.00-$3,960.00$2,200.00$3,080.00$3,960.00