CAS
94160-40-4 Purity
96%
94160-40-4 Purity
96%
![Tetrasodium 2,2'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[imino[1-(1-hydroxyethylidene)-2-oxo-2,1-ethanediyl]azo]]bis[5-[[[(4-sulphonatophenyl)amino]carbonyl]amino]benzoate]](https://resource.alfa-chemistry.com/structure/94160-42-6.gif)
Inquiry Basket
4-(Methyloctadecylamino)-3-nitrobenzoic acid
CAS
94160-44-8
Catalog Number
ACM94160448
Category
Other Products
Molecular Weight
448.638560 [g/mol]
Molecular Formula
C26H44N2O4
If you have any other questions or need other size, please get a quote.
- Product Description
- Case Study
- Custom Reviews
- Custom Q&A
- Synthetic Use
- Related Resources
Specification
Synonyms
EINECS 303-329-0, 4-(Methyloctadecylamino)-3-nitrobenzoic acid, 94160-44-8
IUPAC Name
4-[methyl(octadecyl)amino]-3-nitrobenzoic acid
Canonical SMILES
CCCCCCCCCCCCCCCCCCN(C)C1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]
InChI Key
CITOGJZWCOOZGD-UHFFFAOYSA-N
Boiling Point
574.6ºC at 760mmHg
Flash Point
301.3ºC
Density
1.041g/cm³
EC Number
303-329-0
Exact Mass
448.33000
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of 4-(Methyloctadecylamino)-3-nitrobenzoic acid?
The molecular formula is C26H44N2O4.
When was 4-(Methyloctadecylamino)-3-nitrobenzoic acid first created and modified?
It was first created on 2007-12-05 and last modified on 2023-12-30.
What is the IUPAC name of 4-(Methyloctadecylamino)-3-nitrobenzoic acid?
The IUPAC name is 4-[methyl(octadecyl)amino]-3-nitrobenzoic acid.
What is the InChIKey of 4-(Methyloctadecylamino)-3-nitrobenzoic acid?
CITOGJZWCOOZGD-UHFFFAOYSA-N
How many hydrogen bond donor counts are there in 4-(Methyloctadecylamino)-3-nitrobenzoic acid?
There is 1 hydrogen bond donor count.
What is the XLogP3-AA value of 4-(Methyloctadecylamino)-3-nitrobenzoic acid?
The XLogP3-AA value is 10.2.
What is the topological polar surface area of 4-(Methyloctadecylamino)-3-nitrobenzoic acid?
The topological polar surface area is 86.4 Ų.
How many rotatable bond counts are there in 4-(Methyloctadecylamino)-3-nitrobenzoic acid?
There are 19 rotatable bond counts.
Is 4-(Methyloctadecylamino)-3-nitrobenzoic acid a canonical compound?
Yes, 4-(Methyloctadecylamino)-3-nitrobenzoic acid is a canonical compound.
What is the exact mass of 4-(Methyloctadecylamino)-3-nitrobenzoic acid?
The exact mass is 448.33010789 g/mol.
Recommended Products
![Benzoic acid,2,2'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[imino[1-(1-hydroxyethylidene)-2-oxo-2,1-ethanediyl]azo]]bis[5-(acetylamino)-,disodium salt(9ci)](https://resource.alfa-chemistry.com/structure/94160-40-4.gif)
![Sodium 4-[(1,5-dihydroxy-2-naphthyl)azo]naphthalene-1-sulfonate](https://resource.alfa-chemistry.com/structure/94160-43-7.gif)
CAS
94160-43-7 Purity
96%
94160-43-7 Purity
96%
![1-Methyl-7-oxabicyclo[2.2.1]-5-heptene-2,3-dicarboxylicanhydride](https://resource.alfa-chemistry.com/structure/941-63-9.gif)
CAS
941-63-9 Purity
---
941-63-9 Purity
---
