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1183458-08-3 | [(3-Cyano-benzyl)-isopropyl-amino]-acetic acid
CAS No: 1183458-08-3 Catalog No: AG01F9ZR MDL No:
Product Description
Catalog Number:
AG01F9ZR
Chemical Name:
[(3-Cyano-benzyl)-isopropyl-amino]-acetic acid
CAS Number:
1183458-08-3
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
IUPAC Name:
2-[(3-cyanophenyl)methyl-propan-2-ylamino]acetic acid
InChI:
InChI=1S/C13H16N2O2/c1-10(2)15(9-13(16)17)8-12-5-3-4-11(6-12)7-14/h3-6,10H,8-9H2,1-2H3,(H,16,17)
InChI Key:
RLACJWKPTHCIEZ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)CN(C(C)C)CC(=O)O
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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