4-[(1R)-1-aminoethyl]aniline dihydrochloride

4-[(1R)-1-aminoethyl]aniline dihydrochloride

CAS: 1269437-75-3

Formula: C8H14Cl2N2

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

IUPAC: 4-[(1R)-1-aminoethyl]aniline dihydrochloride

InChI: InChI=1S/C8H12N2.2ClH/c1-6(9)7-2-4-8(10)5-3-7;;/h2-6H,9-10H2,1H3;2*1H/t6-;;/m1../s1

Composition: C (45.95%), H (6.75%), Cl (33.90%), N (13.40%)

Molar Mass: 209.11

Atom Count: 26

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	208.0534039
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	RBTZGSNSUNOPNF-QYCVXMPOSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.65
Topological Polar Surface Area	52.04
Polarizability	16.7
Ring Count	1
Rotatable Bond Count	1

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