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1-[3,5-bis(aminomethyl)phenyl]methanamine trihydrochloride

1-[3,5-bis(aminomethyl)phenyl]methanamine trihydrochloride

CAS: 69146-57-2

Formula: C9H18Cl3N3

SMILES: Cl.Cl.Cl.NCC1=CC(CN)=CC(CN)=C1

IUPAC: 1-[3,5-bis(aminomethyl)phenyl]methanamine trihydrochloride

InChI: InChI=1S/C9H15N3.3ClH/c10-4-7-1-8(5-11)3-9(2-7)6-12;;;/h1-3H,4-6,10-12H2;3*1H

Composition: C (39.36%), H (6.61%), Cl (38.73%), N (15.30%)

Molar Mass: 274.61

Atom Count: 33

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 273.0566307
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey QXLBOWCVKXIACP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.48
Topological Polar Surface Area 78.06
Polarizability 20.46
Ring Count 1
Rotatable Bond Count 3

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