CAS
90390-15-1 Purity
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90390-15-1 Purity
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N-(3,5-Difluorobenzyl)-N-methylamine
CAS
90390-28-6
Catalog Number
ACM90390286
Category
Other Products
Molecular Weight
157.1620
Molecular Formula
C8H9F2N
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Specification
Synonyms
N-(3,5-Difluorobenzyl)-N-methylamine
IUPAC Name
1-(3,5-difluorophenyl)-N-methylmethanamine
Canonical SMILES
CNCC1=CC(=CC(=C1)F)F
InChI Key
PAVCYIWPONYGCE-UHFFFAOYSA-N
Boiling Point
161.5ºC at 760 mmHg
Flash Point
51.5ºC
Density
1.126g/cm³
Exact Mass
157.07000
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C8H9F2N.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 1-(3,5-difluorophenyl)-N-methylmethanamine.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C8H9F2N/c1-11-5-6-2-7(9)4-8(10)3-6/h2-4,11H,5H2,1H3.
What is the InChIKey of the compound?
The InChIKey of the compound is PAVCYIWPONYGCE-UHFFFAOYSA-N.
What is the molecular weight of the compound?
The molecular weight of the compound is 157.16 g/mol.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 3 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 2 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 12.2.
Is the compound the canonicalized form?
Yes, the compound is the canonicalized form.
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