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178618-43-4 | Carbamic acid, N,N-dimethyl-, 3-(dimethylamino)butyl ester
CAS No: 178618-43-4 Catalog No: AG00266S MDL No:
Product Description
Catalog Number:
AG00266S
Chemical Name:
Carbamic acid, N,N-dimethyl-, 3-(dimethylamino)butyl ester
CAS Number:
178618-43-4
Molecular Formula:
C9H20N2O2
Molecular Weight:
188.2673
IUPAC Name:
3-(dimethylamino)butyl N,N-dimethylcarbamate
InChI:
InChI=1S/C9H20N2O2/c1-8(10(2)3)6-7-13-9(12)11(4)5/h8H,6-7H2,1-5H3
InChI Key:
VVGQXMCHKFOTKZ-UHFFFAOYSA-N
SMILES:
CC(N(C)C)CCOC(=O)N(C)C
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.152g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.271g/mol
Monoisotopic Mass:
188.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Carbamoylcholine analogs as nicotinic acetylcholine receptor agonists--structural modifications of 3-(dimethylamino)butyl dimethylcarbamate (DMABC). | Bioorganic & medicinal chemistry letters 20090101 |
| Novel acetylcholine and carbamoylcholine analogues: development of a functionally selective alpha4beta2 nicotinic acetylcholine receptor agonist. | Journal of medicinal chemistry 20081211 |
| Carbamoylcholine homologs: synthesis and pharmacology at nicotinic acetylcholine receptors. | European journal of pharmacology 20040823 |
| Carbamoylcholine homologs: novel and potent agonists at neuronal nicotinic acetylcholine receptors. | Molecular pharmacology 20031001 |
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