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(1S)-1-(2-methylphenyl)butan-1-amine hydrochloride

(1S)-1-(2-methylphenyl)butan-1-amine hydrochloride

CAS: 1391437-28-7

Formula: C11H18ClN

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

IUPAC: (1S)-1-(2-methylphenyl)butan-1-amine hydrochloride

InChI: InChI=1S/C11H17N.ClH/c1-3-6-11(12)10-8-5-4-7-9(10)2;/h4-5,7-8,11H,3,6,12H2,1-2H3;1H/t11-;/m0./s1

Composition: C (66.15%), H (9.08%), Cl (17.75%), N (7.01%)

Molar Mass: 199.72

Atom Count: 31

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 199.1127773
Formal Charge 0
FSP3 0.45
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey ZDTHPTJAFLCPOT-MERQFXBCSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.12
Topological Polar Surface Area 26.02
Polarizability 21.06
Ring Count 1
Rotatable Bond Count 3

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