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(2S)-2-amino-3-(1H-imidazol-4-yl)propanamide dihydrochloride

(2S)-2-amino-3-(1H-imidazol-4-yl)propanamide dihydrochloride

CAS: 71666-95-0

Formula: C6H12Cl2N4O

SMILES: Cl.Cl.N[C@@H](CC1=CNC=N1)C(N)=O

IUPAC: (2S)-2-amino-3-(1H-imidazol-4-yl)propanamide dihydrochloride

InChI: InChI=1S/C6H10N4O.2ClH/c7-5(6(8)11)1-4-2-9-3-10-4;;/h2-3,5H,1,7H2,(H2,8,11)(H,9,10);2*1H/t5-;;/m0../s1

Composition: C (31.73%), H (5.33%), Cl (31.22%), N (24.67%), O (7.05%)

Molar Mass: 227.09

Atom Count: 25

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 226.0388164
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey CRBYFJCXMZNLTO-XRIGFGBMSA-N
Lipinski's Rule of Five 1
Molar Refractivity 39.32
Topological Polar Surface Area 97.79
Polarizability 15.43
Ring Count 1
Rotatable Bond Count 3

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