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1178106-62-1 | [Isopropyl-(3-methyl-benzyl)-amino]-acetic acid
CAS No: 1178106-62-1 Catalog No: AG01F9Q0 MDL No:
Product Description
Catalog Number:
AG01F9Q0
Chemical Name:
[Isopropyl-(3-methyl-benzyl)-amino]-acetic acid
CAS Number:
1178106-62-1
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
IUPAC Name:
2-[(3-methylphenyl)methyl-propan-2-ylamino]acetic acid
InChI:
InChI=1S/C13H19NO2/c1-10(2)14(9-13(15)16)8-12-6-4-5-11(3)7-12/h4-7,10H,8-9H2,1-3H3,(H,15,16)
InChI Key:
MNXDMBUMWZOMEO-UHFFFAOYSA-N
SMILES:
OC(=O)CN(C(C)C)Cc1cccc(c1)C
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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