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20133-59-9 | 2-Furanmethanamine, tetrahydro-, compd. with 2-hydroxy-5-methyl-5-nitro-1,3,2-dioxaphosphorinane 2-oxide (1:1)
CAS No: 20133-59-9 Catalog No: AG002DCU MDL No:
Product Description
Catalog Number:
AG002DCU
Chemical Name:
2-Furanmethanamine, tetrahydro-, compd. with 2-hydroxy-5-methyl-5-nitro-1,3,2-dioxaphosphorinane 2-oxide (1:1)
CAS Number:
20133-59-9
Molecular Formula:
C9H19N2O7P
Molecular Weight:
298.2301
IUPAC Name:
2-hydroxy-5-methyl-5-nitro-1,3,2λ5-dioxaphosphinane 2-oxide;oxolan-2-ylmethanamine
InChI:
InChI=1S/C5H11NO.C4H8NO6P/c6-4-5-2-1-3-7-5;1-4(5(6)7)2-10-12(8,9)11-3-4/h5H,1-4,6H2;2-3H2,1H3,(H,8,9)
InChI Key:
ZMVHSXILNHGZTD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1(C)COP(=O)(OC1)O.NCC1CCCO1
NSC Number:
110686
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.093g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.232g/mol
Monoisotopic Mass:
298.093g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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