4-[(1R)-1-aminoethyl]benzoic acid hydrochloride

4-[(1R)-1-aminoethyl]benzoic acid hydrochloride

CAS: 1134776-39-8

Formula: C9H12ClNO2

SMILES: Cl.C[C@@H](N)C1=CC=C(C=C1)C(O)=O

IUPAC: 4-[(1R)-1-aminoethyl]benzoic acid hydrochloride

InChI: InChI=1S/C9H11NO2.ClH/c1-6(10)7-2-4-8(5-3-7)9(11)12;/h2-6H,10H2,1H3,(H,11,12);1H/t6-;/m1./s1

Composition: C (53.61%), H (6.00%), Cl (17.58%), N (6.95%), O (15.87%)

Molar Mass: 201.65

Atom Count: 25

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	201.0556563
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	GNWOFSYSPMCLJU-FYZOBXCZSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.21
Topological Polar Surface Area	63.32
Polarizability	17.85
Ring Count	1
Rotatable Bond Count	2

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