(1S)-1-(2,6-dichlorophenyl)propan-1-amine hydrochloride

(1S)-1-(2,6-dichlorophenyl)propan-1-amine hydrochloride

CAS: 1391577-48-2

Formula: C9H12Cl3N

SMILES: Cl.CC[C@H](N)C1=C(Cl)C=CC=C1Cl

IUPAC: (1S)-1-(2,6-dichlorophenyl)propan-1-amine hydrochloride

InChI: InChI=1S/C9H11Cl2N.ClH/c1-2-8(12)9-6(10)4-3-5-7(9)11;/h3-5,8H,2,12H2,1H3;1H/t8-;/m0./s1

Composition: C (44.94%), H (5.03%), Cl (44.21%), N (5.82%)

Molar Mass: 240.55

Atom Count: 25

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	239.0035325
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	RYFPZKXDFHRLEQ-QRPNPIFTSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.08
Topological Polar Surface Area	26.02
Polarizability	21.12
Ring Count	1
Rotatable Bond Count	2

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