CAS
94349-42-5 Purity
96%
94349-42-5 Purity
96%
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4-(Ethyl(2-hydroxyethyl)amino)-3-methylbenzenediazonium hexafluorophosphate
CAS
94349-46-9
Catalog Number
ACM94349469
Category
Other Products
Molecular Weight
351.2284202
Molecular Formula
Molecular Weight:
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Specification
Synonyms
EINECS 305-163-4, 4-(Ethyl(2-hydroxyethyl)amino)-3-methylbenzenediazonium hexafluorophosphate, 94349-46-9
IUPAC Name
4-[ethyl(2-hydroxyethyl)amino]-3-methylbenzenediazonium hexafluorophosphate
Canonical SMILES
CCN(CCO)C1=C(C=C(C=C1)[N+]#N)C.F[P-](F)(F)(F)(F)F
InChI Key
BCGUDYVHCHZLJM-UHFFFAOYSA-N
Density
g/cm³
EC Number
305-163-4
Exact Mass
351.09400
H-Bond Acceptor
10
H-Bond Donor
1
What is the molecular formula of the compound in the reference?
The molecular formula is C11H16F6N3OP.
When was the compound created and last modified?
The compound was created on 2007-07-11 and last modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name is 4-[ethyl(2-hydroxyethyl)amino]-3-methylbenzenediazonium; hexafluorophosphate.
What is the InChIKey of the compound?
The InChIKey is BCGUDYVHCHZLJM-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has one hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area is 51.6 Å2.
How many rotatable bond counts does the compound have?
The compound has 4 rotatable bond counts.
What is the exact mass of the compound?
The exact mass is 351.09351811 g/mol.
How many heavy atom counts does the compound have?
The compound has 22 heavy atom counts.
Is the compound is canonicalized?
Yes, the compound is canonicalized.
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