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[methyl(pyridin-2-ylmethyl)amino]acetic acid hydrate dihydrochloride

[methyl(pyridin-2-ylmethyl)amino]acetic acid hydrate dihydrochloride

CAS: 1315173-05-7

Formula: C9H16Cl2N2O3

SMILES: O.Cl.Cl.CN(CC(O)=O)CC1=CC=CC=N1

IUPAC: 2-{methyl[(pyridin-2-yl)methyl]amino}acetic acid hydrate dihydrochloride

InChI: InChI=1S/C9H12N2O2.2ClH.H2O/c1-11(7-9(12)13)6-8-4-2-3-5-10-8;;;/h2-5H,6-7H2,1H3,(H,12,13);2*1H;1H2

Composition: C (39.87%), H (5.95%), Cl (26.15%), N (10.33%), O (17.70%)

Molar Mass: 271.14

Atom Count: 32

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 270.0537978
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey PQFYZCDUBRNSSY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.01
Topological Polar Surface Area 53.43
Polarizability 18.84
Ring Count 1
Rotatable Bond Count 4

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