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1261234-69-8 | Methyl-[1-(6-methyl-pyridazin-3-yl)-piperidin-3-yl]-carbamic acid tert-butyl ester
CAS No: 1261234-69-8 Catalog No: AG01F3NF MDL No:
Product Description
Catalog Number:
AG01F3NF
Chemical Name:
Methyl-[1-(6-methyl-pyridazin-3-yl)-piperidin-3-yl]-carbamic acid tert-butyl ester
CAS Number:
1261234-69-8
Molecular Formula:
C16H26N4O2
Molecular Weight:
306.4032
IUPAC Name:
tert-butyl N-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]carbamate
InChI:
InChI=1S/C16H26N4O2/c1-12-8-9-14(18-17-12)20-10-6-7-13(11-20)19(5)15(21)22-16(2,3)4/h8-9,13H,6-7,10-11H2,1-5H3
InChI Key:
ZYHXBYGZDFVEQK-UHFFFAOYSA-N
SMILES:
O=C(N(C1CCCN(C1)c1ccc(nn1)C)C)OC(C)(C)C
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.206g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.41g/mol
Monoisotopic Mass:
306.206g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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