200,000+ products from a single source!
sales@angenechem.com
1217789-95-1 | Benzenebutanoic acid, β-amino-4-(1,1-dimethylethyl)-, hydrochloride (1:1), (βS)-
CAS No: 1217789-95-1 Catalog No: AG0015Z8 MDL No:MFCD03093611
Product Description
Catalog Number:
AG0015Z8
Chemical Name:
Benzenebutanoic acid, β-amino-4-(1,1-dimethylethyl)-, hydrochloride (1:1), (βS)-
CAS Number:
1217789-95-1
Molecular Formula:
C14H22ClNO2
Molecular Weight:
271.7830
MDL Number:
MFCD03093611
IUPAC Name:
(3S)-3-amino-4-(4-tert-butylphenyl)butanoic acid;hydrochloride
InChI:
InChI=1S/C14H21NO2.ClH/c1-14(2,3)11-6-4-10(5-7-11)8-12(15)9-13(16)17;/h4-7,12H,8-9,15H2,1-3H3,(H,16,17);1H/t12-;/m0./s1
InChI Key:
NPVGFMZLBRNQHM-YDALLXLXSA-N
SMILES:
N[C@@H](Cc1ccc(cc1)C(C)(C)C)CC(=O)O.Cl
Properties
Complexity:
249
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:
3
Isotope Atom Count:
0
Molecular Weight:
271.785g/mol
Monoisotopic Mass:
271.134g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.