Home Aminos 3-amino-3-(4-tert-butylphenyl)propanoic acid hydrochloride

3-amino-3-(4-tert-butylphenyl)propanoic acid hydrochloride

CAS No.:
2137640-50-5
Catalog Number:
AG01E8QX
Molecular Formula:
C13H20ClNO2
Molecular Weight:
257.7564
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Product Description
Catalog Number:
AG01E8QX
Chemical Name:
3-amino-3-(4-tert-butylphenyl)propanoic acid hydrochloride
CAS Number:
2137640-50-5
Molecular Formula:
C13H20ClNO2
Molecular Weight:
257.7564
MDL Number:
MFCD31420978
IUPAC Name:
3-amino-3-(4-tert-butylphenyl)propanoic acid;hydrochloride
InChI:
InChI=1S/C13H19NO2.ClH/c1-13(2,3)10-6-4-9(5-7-10)11(14)8-12(15)16;/h4-7,11H,8,14H2,1-3H3,(H,15,16);1H
InChI Key:
HQDNAMPVIGROSG-UHFFFAOYSA-N
SMILES:
NC(c1ccc(cc1)C(C)(C)C)CC(=O)O.Cl
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.118g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
257.758g/mol
Monoisotopic Mass:
257.118g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties