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Home Other Building Blocks METHYL (2S)-2-AMINO-3-(2,4-DIMETHYLPHENYL)PROPANOATE HYDROCHLORIDE

METHYL (2S)-2-AMINO-3-(2,4-DIMETHYLPHENYL)PROPANOATE HYDROCHLORIDE

CAS No.:
1391571-15-5
Catalog Number:
AG01DDOO
Molecular Formula:
C12H18ClNO2
Molecular Weight:
243.7298
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Product Description
Catalog Number:
AG01DDOO
Chemical Name:
METHYL (2S)-2-AMINO-3-(2,4-DIMETHYLPHENYL)PROPANOATE HYDROCHLORIDE
CAS Number:
1391571-15-5
Molecular Formula:
C12H18ClNO2
Molecular Weight:
243.7298
MDL Number:
MFCD12911182
IUPAC Name:
methyl (2S)-2-amino-3-(2,4-dimethylphenyl)propanoate;hydrochloride
InChI:
InChI=1S/C12H17NO2.ClH/c1-8-4-5-10(9(2)6-8)7-11(13)12(14)15-3;/h4-6,11H,7,13H2,1-3H3;1H/t11-;/m0./s1
InChI Key:
CRGIWBPGJAHRNL-MERQFXBCSA-N
SMILES:
COC(=O)[C@H](Cc1ccc(cc1C)C)N.Cl
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
243.103g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
243.731g/mol
Monoisotopic Mass:
243.103g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties