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138763-00-5 | 2-Buten-1-amine, 4-[[4-(1-piperidinylmethyl)-2-pyrimidinyl]oxy]-, (E)- (9CI)
CAS No: 138763-00-5 Catalog No: AG0019HE MDL No:
Product Description
Catalog Number:
AG0019HE
Chemical Name:
2-Buten-1-amine, 4-[[4-(1-piperidinylmethyl)-2-pyrimidinyl]oxy]-, (E)- (9CI)
CAS Number:
138763-00-5
Molecular Formula:
C14H22N4O
Molecular Weight:
262.3507
IUPAC Name:
4-[4-(piperidin-1-ylmethyl)pyrimidin-2-yl]oxybut-2-en-1-amine
InChI:
InChI=1S/C14H22N4O/c15-7-2-5-11-19-14-16-8-6-13(17-14)12-18-9-3-1-4-10-18/h2,5-6,8H,1,3-4,7,9-12,15H2
InChI Key:
IIQWXMBAVWBBMX-UHFFFAOYSA-N
SMILES:
NC/C=C/COc1nccc(n1)CN1CCCCC1
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.179g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.357g/mol
Monoisotopic Mass:
262.179g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.6
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