CAS
94192-18-4 Purity
96%
94192-18-4 Purity
96%
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4-(N-Methyl-N-octadecylamino)-3-aminobenzoic acid
CAS
94199-45-8
Catalog Number
ACM94199458
Category
Other Products
Molecular Weight
418.655640 [g/mol]
Molecular Formula
C26H46N2O2
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Specification
Synonyms
EINECS 303-417-9, CID3023931, 4-(N-Methyl-N-octadecylamino)-3-aminobenzoic acid, 94199-45-8
IUPAC Name
3-amino-4-[methyl(octadecyl)amino]benzoic acid
Canonical SMILES
CCCCCCCCCCCCCCCCCCN(C)C1=C(C=C(C=C1)C(=O)O)N
InChI Key
KUUQXKLQMIXMMQ-UHFFFAOYSA-N
Boiling Point
563.2ºC at 760 mmHg
Flash Point
294.4ºC
Density
0.99g/cm³
EC Number
303-417-9
Exact Mass
418.35600
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of 4-(N-Methyl-N-octadecylamino)-3-aminobenzoic acid?
The molecular formula is C26H46N2O2.
When was this compound created on PubChem?
The compound was created on 2005-08-08.
What is the molecular weight of 4-(N-Methyl-N-octadecylamino)-3-aminobenzoic acid?
The molecular weight is 418.7 g/mol.
What is the IUPAC name of this compound?
The IUPAC name is 3-amino-4-[methyl(octadecyl)amino]benzoic acid.
What is the InChIKey of this compound?
The InChIKey is KUUQXKLQMIXMMQ-UHFFFAOYSA-N.
How many hydrogen bond donor counts does this compound have?
It has 2 hydrogen bond donor counts.
What is the value of XLogP3-AA for this compound?
The value is 9.7.
What is the topological polar surface area of this compound?
The topological polar surface area is 66.6 Ų.
How many rotatable bond counts does this compound have?
It has 19 rotatable bond counts.
Is the compound canonicalized according to PubChem?
Yes, the compound is canonicalized.
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CAS
94199-46-9 Purity
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94199-46-9 Purity
96%
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94199-48-1 Purity
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