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1,7-bis(2-hydroxyethyl)-4-methyl-2,4,6-triazatricyclo[5.2.2.02,6]undecane-3,5-dione

1,7-bis(2-hydroxyethyl)-4-methyl-2,4,6-triazatricyclo[5.2.2.02,6]undecane-3,5-dione structure

CAS No:
71647-48-8
Formula:
C13H21N3O4
Chemical Name:
1,7-bis(2-hydroxyethyl)-4-methyl-2,4,6-triazatricyclo[5.2.2.02,6]undecane-3,5-dione
Synonyms:
71647-48-8;NSC345092;5,8-Ethano-1H-(1,2,4)triazolo(1,2-a)pyridazine-1,3(2H)-dione, tetrahydro-5,8-bis(2-hydroxyethyl)-2-methyl-;5,8-Ethano-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione, tetrahydro-5,8-bis(2-hydroxyethyl)-2-methyl-;NSC 345092;DTXSID20221891;bis(2-hydroxyethyl)-methyl-[?]dione;NSC-345092

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1,7-bis(2-hydroxyethyl)-4-methyl-2,4,6-triazatricyclo[5.2.2.02,6]undecane-3,5-dione Basic Attributes

Molecular Weight：

283.32 g/mol

Exact Mass：

283.15320616 g/mol

NSC Number：

345092

DSSTox ID：

DTXSID20221891

Characteristics

PSA：

84.3 Å²

Computed Properties

Molecular Weight:283.32
XLogP3:-0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:283.15320616
Monoisotopic Mass:283.15320616
Topological Polar Surface Area:84.3
Heavy Atom Count:20
Complexity:405
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,7-bis(2-hydroxyethyl)-4-methyl-2,4,6-triazatricyclo[5.2.2.02,6]undecane-3,5-dione

Basic Attributes
Characteristics
Computed Properties

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