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1391439-19-2 | Benzoic acid, 3-[(1S)-1-aminoethyl]-, methyl ester, hydrochloride (1:1)
CAS No: 1391439-19-2 Catalog No: AG001ADL MDL No:MFCD12910779
Product Description
Catalog Number:
AG001ADL
Chemical Name:
Benzoic acid, 3-[(1S)-1-aminoethyl]-, methyl ester, hydrochloride (1:1)
CAS Number:
1391439-19-2
Molecular Formula:
C10H14ClNO2
Molecular Weight:
215.6767
MDL Number:
MFCD12910779
IUPAC Name:
methyl 3-[(1S)-1-aminoethyl]benzoate;hydrochloride
InChI:
InChI=1S/C10H13NO2.ClH/c1-7(11)8-4-3-5-9(6-8)10(12)13-2;/h3-7H,11H2,1-2H3;1H/t7-;/m0./s1
InChI Key:
PMFQSOTUHJSZHY-FJXQXJEOSA-N
SMILES:
COC(=O)c1cccc(c1)[C@@H](N)C.Cl
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
215.071g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.677g/mol
Monoisotopic Mass:
215.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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