4-(aminomethyl)-N-methylbenzamide hydrochloride

4-(aminomethyl)-N-methylbenzamide hydrochloride

CAS: 1158467-80-1

Formula: C9H13ClN2O

SMILES: Cl.CNC(=O)C1=CC=C(CN)C=C1

IUPAC: 4-(aminomethyl)-N-methylbenzamide hydrochloride

InChI: InChI=1S/C9H12N2O.ClH/c1-11-9(12)8-4-2-7(6-10)3-5-8;/h2-5H,6,10H2,1H3,(H,11,12);1H

Composition: C (53.87%), H (6.53%), Cl (17.67%), N (13.96%), O (7.97%)

Molar Mass: 200.67

Atom Count: 26

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	200.0716407
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	NLKLSWPOAFKYKN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.51
Topological Polar Surface Area	55.12
Polarizability	18.36
Ring Count	1
Rotatable Bond Count	2

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