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1215213-92-5 | Ethanone, 1-[4-[(1S)-1-aminoethyl]phenyl]-, hydrochloride (1:1)
CAS No: 1215213-92-5 Catalog No: AG001585 MDL No:MFCD18206318
Product Description
Catalog Number:
AG001585
Chemical Name:
Ethanone, 1-[4-[(1S)-1-aminoethyl]phenyl]-, hydrochloride (1:1)
CAS Number:
1215213-92-5
Molecular Formula:
C10H14ClNO
Molecular Weight:
199.6773
MDL Number:
MFCD18206318
IUPAC Name:
1-[4-[(1S)-1-aminoethyl]phenyl]ethanone;hydrochloride
InChI:
InChI=1S/C10H13NO.ClH/c1-7(11)9-3-5-10(6-4-9)8(2)12;/h3-7H,11H2,1-2H3;1H/t7-;/m0./s1
InChI Key:
USBZDKPYJQEXOV-FJXQXJEOSA-N
SMILES:
C[C@@H](c1ccc(cc1)C(=O)C)N.Cl
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
199.076g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.678g/mol
Monoisotopic Mass:
199.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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