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119993-10-1 | 4-Penten-1-amine, N-methylene-, N-oxide (9CI)
CAS No: 119993-10-1 Catalog No: AG000PZE MDL No:
Product Description
Catalog Number:
AG000PZE
Chemical Name:
4-Penten-1-amine, N-methylene-, N-oxide (9CI)
CAS Number:
119993-10-1
Molecular Formula:
C6H11NO
Molecular Weight:
113.1576
IUPAC Name:
N-pent-4-enylmethanimine oxide
InChI:
InChI=1S/C6H11NO/c1-3-4-5-6-7(2)8/h3H,1-2,4-6H2
InChI Key:
JHEXXVVKFDAOCW-UHFFFAOYSA-N
SMILES:
C=CCCC[N+](=C)[O-]
Properties
Complexity:
88.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
113.16g/mol
Monoisotopic Mass:
113.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
28.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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