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Home Other Building Blocks Boc-beta-cyano-l-alanine

Boc-beta-cyano-l-alanine

CAS No.:
45159-34-0
Catalog Number:
AG0037TZ
Molecular Formula:
C9H14N2O4
Molecular Weight:
214.2185
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$50
- +
5g
97%
In Stock USA
United States
$200
- +
25g
97%
In Stock USA
United States
$800
- +
Product Description
Catalog Number:
AG0037TZ
Chemical Name:
Boc-beta-cyano-l-alanine
CAS Number:
45159-34-0
Molecular Formula:
C9H14N2O4
Molecular Weight:
214.2185
MDL Number:
MFCD00237539
IUPAC Name:
(2S)-3-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C9H14N2O4/c1-9(2,3)15-8(14)11-6(4-5-10)7(12)13/h6H,4H2,1-3H3,(H,11,14)(H,12,13)/t6-/m0/s1
InChI Key:
IVKMLPKBZQTAMQ-LURJTMIESA-N
SMILES:
N#CC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
214.095g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
214.221g/mol
Monoisotopic Mass:
214.095g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties