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1596-64-1 | 1H-Imidazole-5-propanol, β-amino-, hydrochloride (1:2), (βS)-
CAS No: 1596-64-1 Catalog No: AG001R88 MDL No:MFCD00078058
Product Description
Catalog Number:
AG001R88
Chemical Name:
1H-Imidazole-5-propanol, β-amino-, hydrochloride (1:2), (βS)-
CAS Number:
1596-64-1
Molecular Formula:
C6H13Cl2N3O
Molecular Weight:
214.0929
MDL Number:
MFCD00078058
IUPAC Name:
(2S)-2-amino-3-(1H-imidazol-5-yl)propan-1-ol;dihydrochloride
InChI:
InChI=1S/C6H11N3O.2ClH/c7-5(3-10)1-6-2-8-4-9-6;;/h2,4-5,10H,1,3,7H2,(H,8,9);2*1H/t5-;;/m0../s1
InChI Key:
FRCAFNBBXRWXQA-XRIGFGBMSA-N
SMILES:
OC[C@H](Cc1nc[nH]c1)N.Cl.Cl
EC Number:
216-482-2
Properties
Complexity:
99
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
213.044g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
214.09g/mol
Monoisotopic Mass:
213.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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