CAS
94192-59-3 Purity
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94192-59-3 Purity
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3-Amino-4-(methyloctadecylamino)benzoic acid monohydrochloride
CAS
94199-46-9
Catalog Number
ACM94199469
Category
Other Products
Molecular Weight
455.116580 [g/mol]
Molecular Formula
C26H46N2O2.HCl
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Specification
Synonyms
EINECS 303-418-4, 3-Amino-4-(methyloctadecylamino)benzoic acid monohydrochloride, 94199-46-9
IUPAC Name
3-amino-4-[methyl(octadecyl)amino]benzoic acid hydrochloride
InChI Key
WWRSQXQQEFOZLH-UHFFFAOYSA-N
Boiling Point
566.6ºC at 760 mmHg
Flash Point
296.5ºC
Exact Mass
454.33300
H-Bond Acceptor
4
H-Bond Donor
3
What is the molecular formula of the compound 3-Amino-4-(methyloctadecylamino)benzoic acid monohydrochloride?
The molecular formula is C26H47ClN2O2.
What is the molecular weight of the compound?
The molecular weight is 455.1 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 3-amino-4-[methyl(octadecyl)amino]benzoic acid; hydrochloride.
What is the InChIKey of the compound?
The InChIKey is WWRSQXQQEFOZLH-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 3 hydrogen bond donor counts.
What is the exact mass of the compound?
The exact mass is 454.3326064 g/mol.
What is the topological polar surface area of the compound?
The topological polar surface area is 66.6 Å2.
How many rotatable bond counts does the compound have?
The compound has 19 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the UNII number of the compound?
The UNII number is 0K34UYI3JN.
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