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methyl 3-amino-3-(pyridin-2-yl)propanoate dihydrochloride

methyl 3-amino-3-(pyridin-2-yl)propanoate dihydrochloride

CAS: 1197231-86-9

Formula: C9H14Cl2N2O2

SMILES: Cl.Cl.COC(=O)CC(N)C1=CC=CC=N1

IUPAC: methyl 3-amino-3-(pyridin-2-yl)propanoate dihydrochloride

InChI: InChI=1/C9H12N2O2.2ClH/c1-13-9(12)6-7(10)8-4-2-3-5-11-8;;/h2-5,7H,6,10H2,1H3;2*1H

Composition: C (42.71%), H (5.58%), Cl (28.01%), N (11.07%), O (12.64%)

Molar Mass: 253.12

Atom Count: 29

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 252.0432331
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey JMILGFYNSSLFRJ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.15
Topological Polar Surface Area 65.21
Polarizability 19.09
Ring Count 1
Rotatable Bond Count 4

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