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1181620-73-4 | [Isopropyl-(2-methyl-benzyl)-amino]-acetic acid
CAS No: 1181620-73-4 Catalog No: AG01F9Q5 MDL No:
Product Description
Catalog Number:
AG01F9Q5
Chemical Name:
[Isopropyl-(2-methyl-benzyl)-amino]-acetic acid
CAS Number:
1181620-73-4
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
IUPAC Name:
2-[(2-methylphenyl)methyl-propan-2-ylamino]acetic acid
InChI:
InChI=1S/C13H19NO2/c1-10(2)14(9-13(15)16)8-12-7-5-4-6-11(12)3/h4-7,10H,8-9H2,1-3H3,(H,15,16)
InChI Key:
XFMDKNZPQQGUGM-UHFFFAOYSA-N
SMILES:
OC(=O)CN(C(C)C)Cc1ccccc1C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.3g/mol
Monoisotopic Mass:
221.142g/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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