CAS
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3-Amino-3-(4-trifluoromethyl-phenyl)-propan-1-ol
Catalog Number
ACMA00000875
Category
Amines
Molecular Weight
219.20
Molecular Formula
C10H12BrNO
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Specification
Hazard Statements
H301
RIDADR
NONH for all modes of transport
Symbol
GHS06
What is the IUPAC name of the compound?
The IUPAC name of the compound is 3-amino-3-[4-(trifluoromethyl)phenyl]propan-1-ol.
What is the molecular formula of the compound?
The molecular formula of the compound is C10H12F3NO.
What is the molecular weight of the compound?
The molecular weight of the compound is 219.20 g/mol.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C10H12F3NO/c11-10(12,13)8-3-1-7(2-4-8)9(14)5-6-15/h1-4,9,15H,5-6,14H2.
What is the InChIKey of the compound?
The InChIKey of the compound is MPKKRINVDNIFBP-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CC(=CC=C1C(CCO)N)C(F)(F)F.
What is the CAS number of the compound?
The CAS number of the compound is 787615-24-1.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 1.4.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
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