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1353959-49-5 | [Isopropyl-(1-pyridin-2-yl-ethyl)-amino]-acetic acid
CAS No: 1353959-49-5 Catalog No: AG01F8HU MDL No:
Product Description
Catalog Number:
AG01F8HU
Chemical Name:
[Isopropyl-(1-pyridin-2-yl-ethyl)-amino]-acetic acid
CAS Number:
1353959-49-5
Molecular Formula:
C12H18N2O2
Molecular Weight:
222.2835
IUPAC Name:
2-[propan-2-yl(1-pyridin-2-ylethyl)amino]acetic acid
InChI:
InChI=1S/C12H18N2O2/c1-9(2)14(8-12(15)16)10(3)11-6-4-5-7-13-11/h4-7,9-10H,8H2,1-3H3,(H,15,16)
InChI Key:
TZCLMNJGAVZWCN-UHFFFAOYSA-N
SMILES:
OC(=O)CN(C(c1ccccn1)C)C(C)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.288g/mol
Monoisotopic Mass:
222.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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