Home Aminos Benzenebutanoic acid, α-amino-, 1,1-dimethylethyl ester, hydrochloride (1:1), (αS)-

Benzenebutanoic acid, α-amino-, 1,1-dimethylethyl ester, hydrochloride (1:1), (αS)-

CAS No.:
130316-46-0
Catalog Number:
AG000UA1
Molecular Formula:
C14H22ClNO2
Molecular Weight:
271.7830
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Product Description
Catalog Number:
AG000UA1
Chemical Name:
Benzenebutanoic acid, α-amino-, 1,1-dimethylethyl ester, hydrochloride (1:1), (αS)-
CAS Number:
130316-46-0
Molecular Formula:
C14H22ClNO2
Molecular Weight:
271.7830
MDL Number:
MFCD09029247
IUPAC Name:
tert-butyl (2S)-2-amino-4-phenylbutanoate;hydrochloride
InChI:
InChI=1S/C14H21NO2.ClH/c1-14(2,3)17-13(16)12(15)10-9-11-7-5-4-6-8-11;/h4-8,12H,9-10,15H2,1-3H3;1H/t12-;/m0./s1
InChI Key:
ZBJGZYBRHPJMEG-YDALLXLXSA-N
SMILES:
N[C@H](C(=O)OC(C)(C)C)CCc1ccccc1.Cl
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
271.134g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
271.785g/mol
Monoisotopic Mass:
271.134g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties