4-(carbamimidoylmethyl)benzoic acid hydrochloride

4-(carbamimidoylmethyl)benzoic acid hydrochloride

CAS: 184576-64-5

Formula: C9H11ClN2O2

SMILES: Cl.NC(=N)CC1=CC=C(C=C1)C(O)=O

IUPAC: 4-(carbamimidoylmethyl)benzoic acid hydrochloride

InChI: InChI=1S/C9H10N2O2.ClH/c10-8(11)5-6-1-3-7(4-2-6)9(12)13;/h1-4H,5H2,(H3,10,11)(H,12,13);1H

Composition: C (50.36%), H (5.17%), Cl (16.52%), N (13.05%), O (14.91%)

Molar Mass: 214.65

Atom Count: 25

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	214.0509053
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	FABHHEMZMFEMAK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.04
Topological Polar Surface Area	87.17
Polarizability	18.21
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<2 Days	184576-64-5		$227.70-$4,597.70$227.70$342.70$572.70$802.70$1,147.70$4,597.70