Monomers
Sodium 3-acrylamido-3-methylbutanoate
Identifiers
IUPAC name
sodium;3-methyl-3-(prop-2-enoylamino)butanoate
InchI
InChI=1S/C8H13NO3.Na/c1-4-6(10)9-8(2,3)5-7(11)12;/h4H,1,5H2,2-3H3,(H,9,10)(H,11,12);/q;+1/p-1
InchI Key
UYQMMKJPYKVVIC-UHFFFAOYSA-M
SMILES
C=CC(=O)NC(CC(=O)[O-])(C)C.[Na+]
Canonical SMILES
CC(C)(CC(=O)[O-])NC(=O)C=C.[Na+]
Isomeric SMILES
CC(C)(CC(=O)[O-])NC(=O)C=C.[Na+]
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H12NNaO3
Heavy Atom Count
13
Molecular Weight
193.178
Exact Molecular Weight
193.0715
Valence Electrons
68
Radical Electrons
0
tPSA
69.23
MolLogP
-3.7888
H Bond Acceptors
3
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
25 23 0 0 0 0 0 0 0 0999 V2000
3.6417 1.4302 -0.2019 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8841 0.4468 0.2031 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4386 0.5009 -0.1183 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9564 1.4473 -0.7523 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5692 -0.5401 0.2979 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8252 -0.6242 0.0803 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6897 0.3852 0.7491 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5079 1.7858 0.4481 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9485 2.2466 -0.6613 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8765 2.6862 1.2996 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.1653 -0.7533 -1.4088 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2972 -1.9837 0.6527 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 Na 0 0 0 0 0 15 0 0 0 0 0 0
3.2937 2.2700 -0.7479 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7013 1.3949 0.0323 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2423 -0.3975 0.7534 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0367 -1.3473 0.8372 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7567 0.0949 0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5901 0.1944 1.8584 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2032 0.2289 -1.9031 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1721 -1.2151 -1.4595 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4466 -1.4654 -1.8237 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5587 -2.7788 0.4105 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2871 -2.1713 0.2096 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4391 -1.8353 1.7277 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
3 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 2 0
8 10 1 0
6 11 1 0
6 12 1 0
1 14 1 0
1 15 1 0
2 16 1 0
5 17 1 0
7 18 1 0
7 19 1 0
11 20 1 0
11 21 1 0
11 22 1 0
12 23 1 0
12 24 1 0
12 25 1 0
M CHG 2 10 -1 13 1
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers