200,000+ products from a single source!
sales@angenechem.com
1018300-38-3 | β-Alanine, N-[[[(4-chlorophenyl)methyl]amino]carbonyl]-
CAS No: 1018300-38-3 Catalog No: AG0005NY MDL No:
Product Description
Catalog Number:
AG0005NY
Chemical Name:
β-Alanine, N-[[[(4-chlorophenyl)methyl]amino]carbonyl]-
CAS Number:
1018300-38-3
Molecular Formula:
C11H13ClN2O3
Molecular Weight:
256.6855
IUPAC Name:
3-[(4-chlorophenyl)methylcarbamoylamino]propanoic acid
InChI:
InChI=1S/C11H13ClN2O3/c12-9-3-1-8(2-4-9)7-14-11(17)13-6-5-10(15)16/h1-4H,5-7H2,(H,15,16)(H2,13,14,17)
InChI Key:
YKEVETYCNCAEPO-UHFFFAOYSA-N
SMILES:
O=C(NCCC(=O)O)NCc1ccc(cc1)Cl
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.061g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
256.686g/mol
Monoisotopic Mass:
256.061g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.