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1245649-51-7 | 1H-Imidazole-2-methanamine, α-methyl-5-phenyl-, hydrochloride (1:2), (αS)-
CAS No: 1245649-51-7 Catalog No: AG000MDB MDL No:MFCD23135342
Product Description
Catalog Number:
AG000MDB
Chemical Name:
1H-Imidazole-2-methanamine, α-methyl-5-phenyl-, hydrochloride (1:2), (αS)-
CAS Number:
1245649-51-7
Molecular Formula:
C11H15Cl2N3
Molecular Weight:
260.1629
MDL Number:
MFCD23135342
IUPAC Name:
(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethanamine;hydrochloride
InChI:
InChI=1S/C11H13N3.ClH/c1-8(12)11-13-7-10(14-11)9-5-3-2-4-6-9;/h2-8H,12H2,1H3,(H,13,14);1H/t8-;/m0./s1
InChI Key:
ZBUZNJBHQWUVHX-QRPNPIFTSA-N
SMILES:
C[C@@H](c1[nH]cc(n1)c1ccccc1)N.Cl.Cl
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
223.088g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
223.704g/mol
Monoisotopic Mass:
223.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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