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1181592-86-8 | [Ethyl-(3-methyl-benzyl)-amino]-acetic acid
CAS No: 1181592-86-8 Catalog No: AG01FAU4 MDL No:
Product Description
Catalog Number:
AG01FAU4
Chemical Name:
[Ethyl-(3-methyl-benzyl)-amino]-acetic acid
CAS Number:
1181592-86-8
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
IUPAC Name:
2-[ethyl-[(3-methylphenyl)methyl]amino]acetic acid
InChI:
InChI=1S/C12H17NO2/c1-3-13(9-12(14)15)8-11-6-4-5-10(2)7-11/h4-7H,3,8-9H2,1-2H3,(H,14,15)
InChI Key:
ZVRBULJCPVBHGL-UHFFFAOYSA-N
SMILES:
CCN(Cc1cccc(c1)C)CC(=O)O
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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