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Triisobutylazaphosphatrane hydrochloride

HCID 175669547
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Basic information

CAS
1087352-48-4
Standard SMILES
CC(C)CN1CCN2CCN(CC(C)C)P1N(CC(C)C)CC2.Cl
InChIKey
STQZEEYUHMFRRB-UHFFFAOYSA-N
Molecular formula
C18H40ClN4P
Average molar mass
379 g/mol
Monoisotopic mass
378.267912

Names & identifiers

Preferred name
Triisobutylazaphosphatrane hydrochloride
IUPAC
2,8,9-tris(2-methylpropyl)-2,5,8,9-tetraza-1-phosphabicyclo[3.3.3]undecane;hydrochloride

Names & synonyms

J67R2V54YR1087352-48-4TRIISOBUTYLAZAPHOSPHATRANE HYDROCHLORIDE2,5,8,9-TETRAAZA-1-PHOSPHABICYCLO(3.3.3)UNDECANE, 2,8,9-TRIS(2-METHYLPROPYL)-, HYDROCHLORIDE (1:1)

Database identifiers

CAS
1087352-48-4
PubChem CID
175669547
UNII
J67R2V54YR

Properties

Computed structural properties

Topological polar surface area
13 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
24
Formal charge
0
Complexity
296

Related reactions

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Compound notes

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