CAS
99420-78-7 Purity
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99420-78-7 Purity
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3,4-Dimethoxy-6-fluoro-phenylethylamine
CAS
99424-76-7
Catalog Number
ACM99424767
Category
Other Products
Molecular Weight
199.222063 [g/mol]
Molecular Formula
C10H14FNO2
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Specification
Synonyms
3,4-Dimethoxy-6-fluoro-phenylethylamine
IUPAC Name
2-(2-fluoro-4,5-dimethoxyphenyl)ethanamine
Canonical SMILES
COC1=C(C=C(C(=C1)CCN)F)OC
InChI Key
ITGAJFDPLNWOGD-UHFFFAOYSA-N
Exact Mass
199.10100
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of 3,4-Dimethoxy-6-fluoro-phenylethylamine?
The molecular formula is C10H14FNO2.
What is the IUPAC name of 3,4-Dimethoxy-6-fluoro-phenylethylamine?
The IUPAC name is 2-(2-fluoro-4,5-dimethoxyphenyl)ethanamine.
What is the InChI of 3,4-Dimethoxy-6-fluoro-phenylethylamine?
The InChI is InChI=1S/C10H14FNO2/c1-13-9-5-7(3-4-12)8(11)6-10(9)14-2/h5-6H,3-4,12H2,1-2H3.
What is the InChIKey of 3,4-Dimethoxy-6-fluoro-phenylethylamine?
The InChIKey is ITGAJFDPLNWOGD-UHFFFAOYSA-N.
What is the canonical SMILES of 3,4-Dimethoxy-6-fluoro-phenylethylamine?
The canonical SMILES is COC1=C(C=C(C(=C1)CCN)F)OC.
What is the molecular weight of 3,4-Dimethoxy-6-fluoro-phenylethylamine?
The molecular weight is 199.22 g/mol.
What is the XLogP3-AA value of 3,4-Dimethoxy-6-fluoro-phenylethylamine?
The XLogP3-AA value is 1.3.
How many hydrogen bond donor counts are there in 3,4-Dimethoxy-6-fluoro-phenylethylamine?
There is 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts are there in 3,4-Dimethoxy-6-fluoro-phenylethylamine?
There are 4 hydrogen bond acceptor counts.
How many rotatable bond counts are there in 3,4-Dimethoxy-6-fluoro-phenylethylamine?
There are 4 rotatable bond counts.
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