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20133-75-9 | 1-Propanol, 2-amino-2-methyl-, compd. with 5-ethyl-2-hydroxy-5-nitro-1,3,2-dioxaphosphorinane 2-oxide (1:1)
CAS No: 20133-75-9 Catalog No: AG002DCL MDL No:
Product Description
Catalog Number:
AG002DCL
Chemical Name:
1-Propanol, 2-amino-2-methyl-, compd. with 5-ethyl-2-hydroxy-5-nitro-1,3,2-dioxaphosphorinane 2-oxide (1:1)
CAS Number:
20133-75-9
Molecular Formula:
C9H21N2O7P
Molecular Weight:
300.2460
IUPAC Name:
2-amino-2-methylpropan-1-ol;5-ethyl-2-hydroxy-5-nitro-1,3,2λ5-dioxaphosphinane 2-oxide
InChI:
InChI=1S/C5H10NO6P.C4H11NO/c1-2-5(6(7)8)3-11-13(9,10)12-4-5;1-4(2,5)3-6/h2-4H2,1H3,(H,9,10);6H,3,5H2,1-2H3
InChI Key:
RSEZGJLJCIZITH-UHFFFAOYSA-N
SMILES:
CCC1(COP(=O)(OC1)O)[N+](=O)[O-].OCC(N)(C)C
NSC Number:
110701
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.109g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
300.248g/mol
Monoisotopic Mass:
300.109g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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