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1799412-25-1 | 2-Pyridineethanol, α-(aminomethyl)-, ethanedioate (1:1)
CAS No: 1799412-25-1 Catalog No: AG0021GW MDL No:
Product Description
Catalog Number:
AG0021GW
Chemical Name:
2-Pyridineethanol, α-(aminomethyl)-, ethanedioate (1:1)
CAS Number:
1799412-25-1
Molecular Formula:
C10H14N2O5
Molecular Weight:
242.2286
IUPAC Name:
1-amino-3-pyridin-2-ylpropan-2-ol;oxalic acid
InChI:
InChI=1S/C8H12N2O.C2H2O4/c9-6-8(11)5-7-3-1-2-4-10-7;3-1(4)2(5)6/h1-4,8,11H,5-6,9H2;(H,3,4)(H,5,6)
InChI Key:
ZMCBEGPQVJBREX-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.NCC(Cc1ccccn1)O
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
242.231g/mol
Monoisotopic Mass:
242.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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