N-(3-Aminopropyl)-2-pyrrolidinone - CAS 7663-77-6
Catalog: |
BB035647 |
Product Name: |
N-(3-Aminopropyl)-2-pyrrolidinone |
CAS: |
7663-77-6 |
Synonyms: |
1-(3-aminopropyl)pyrrolidin-2-one |
IUPAC Name: | 1-(3-aminopropyl)pyrrolidin-2-one |
Description: | N-(3-Aminopropyl)-2-pyrrolidinone (CAS# 7663-77-6) is used in preparation of Amide-substituted Heterocyclic compounds for the treatment of conditions related to the modulation of IL-12, IL-23 and/or IFN-alpha. |
Molecular Weight: | 142.20 |
Molecular Formula: | C7H14N2O |
Canonical SMILES: | C1CC(=O)N(C1)CCCN |
InChI: | InChI=1S/C7H14N2O/c8-4-2-6-9-5-1-3-7(9)10/h1-6,8H2 |
InChI Key: | HJORCZCMNWLHMB-UHFFFAOYSA-N |
Boiling Point: | 312 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.014 g/cm3 |
Appearance: | Clear slightly yellowish liquid |
Storage: | Refrigerator |
MDL: | MFCD00003201 |
LogP: | 0.59580 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
17383186 | 20070515 | One pot synthesis of pyrimidine and bispyrimidine derivatives and their evaluation for anti-inflammatory and analgesic activities | Bioorganic & medicinal chemistry |
16408070 | 20051101 | Mixture of new sulfated steroids functions as a migratory pheromone in the sea lamprey | Nature chemical biology |
15013055 | 20031201 | Teratogenicity of valproate conjugates with anticonvulsant activity in mice | Epilepsy research |
Complexity: | 125 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.110613074 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.110613074 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.8 |
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Related Functional Groups
Amines and Anilines
Pyrrolidines
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