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methyl 2,4-diaminobutanoate dihydrochloride

methyl 2,4-diaminobutanoate dihydrochloride

Formula: C5H14Cl2N2O2

SMILES: Cl.Cl.COC(=O)C(N)CCN

IUPAC: methyl 2,4-diaminobutanoate dihydrochloride

InChI: InChI=1/C5H12N2O2.2ClH/c1-9-5(8)4(7)2-3-6;;/h4H,2-3,6-7H2,1H3;2*1H

Composition: C (29.28%), H (6.88%), Cl (34.57%), N (13.66%), O (15.60%)

Molar Mass: 205.08

Atom Count: 25

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 204.0432331
Formal Charge 0
FSP3 0.8
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey BGFZBYKHHGUPSG-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 33.33
Topological Polar Surface Area 78.34
Polarizability 13.78
Ring Count 0
Rotatable Bond Count 4

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