CAS
95050-14-9 Purity
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95050-14-9 Purity
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3-((4-(Trifluoromethoxy)benzyl)amino)propan-1-ol
CAS
950514-32-6
Catalog Number
ACM950514326
Category
Other Products
Molecular Weight
249.23000
Molecular Formula
C11H14F3NO2
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Specification
Synonyms
3-((4-Trifluoromethoxybenzyl)amino)propan-1-ol; 3-((4-TRIFLUOROMETHOXYBENZYL)AMINO)PROPAN-1-OL;
IUPAC Name
1-Propanol, 3-[[[4-(trifluoromethoxy)phenyl]methyl]amino]-
Boiling Point
297.9±40.0 °C (760 mmHg)
Density
1.233±0.06 g/cm³ (20 °C, 760 mmHg)
Exact Mass
249.09800
What is the molecular formula of the compound?
The molecular formula of the compound is C11H14F3NO2.
When was the compound created and last modified?
The compound was created on May 28, 2009, and last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 3-[[4-(trifluoromethoxy)phenyl]methylamino]propan-1-ol.
What is the Canonical SMILES notation of the compound?
The Canonical SMILES notation of the compound is C1=CC(=CC=C1CNCCCO)OC(F)(F)F.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 2.1.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
What is the exact mass of the compound?
The exact mass of the compound is 249.09766318 g/mol.
How many rotatable bond counts does the compound have?
The compound has 6 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 41.5 ㎡.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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