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1353961-86-0 | [Cyclopropyl-(1-phenyl-propyl)-amino]-acetic acid
CAS No: 1353961-86-0 Catalog No: AG01F99K MDL No:
Product Description
Catalog Number:
AG01F99K
Chemical Name:
[Cyclopropyl-(1-phenyl-propyl)-amino]-acetic acid
CAS Number:
1353961-86-0
Molecular Formula:
C14H19NO2
Molecular Weight:
233.3062
IUPAC Name:
2-[cyclopropyl(1-phenylpropyl)amino]acetic acid
InChI:
InChI=1S/C14H19NO2/c1-2-13(11-6-4-3-5-7-11)15(10-14(16)17)12-8-9-12/h3-7,12-13H,2,8-10H2,1H3,(H,16,17)
InChI Key:
IJIAXWBURWFWIQ-UHFFFAOYSA-N
SMILES:
CCC(c1ccccc1)N(C1CC1)CC(=O)O
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.311g/mol
Monoisotopic Mass:
233.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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