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1353986-54-5 | [Isopropyl-(1-phenyl-propyl)-amino]-acetic acid
CAS No: 1353986-54-5 Catalog No: AG01F9TS MDL No:
Product Description
Catalog Number:
AG01F9TS
Chemical Name:
[Isopropyl-(1-phenyl-propyl)-amino]-acetic acid
CAS Number:
1353986-54-5
Molecular Formula:
C14H21NO2
Molecular Weight:
235.3220
IUPAC Name:
2-[1-phenylpropyl(propan-2-yl)amino]acetic acid
InChI:
InChI=1S/C14H21NO2/c1-4-13(12-8-6-5-7-9-12)15(11(2)3)10-14(16)17/h5-9,11,13H,4,10H2,1-3H3,(H,16,17)
InChI Key:
IGMQATMCWIJLGP-UHFFFAOYSA-N
SMILES:
CCC(c1ccccc1)N(C(C)C)CC(=O)O
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.157g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.327g/mol
Monoisotopic Mass:
235.157g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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