1-butylpyrrolidin-2-one - CAS 3470-98-2
Catalog:
BB076971
Product Name:
1-butylpyrrolidin-2-one
CAS:
3470-98-2
Synonyms:
1-Butyl-2-pyrrolidinone; 1-Butyl-2-pyrrolidone
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BB076971
250 g
$268
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IUPAC Name: 1-butylpyrrolidin-2-one
Description: 1-Butylpyrrolidin-2-one is a pharmaceutical intermediate used in the synthesis of drugs such as gabapentin and levetiracetam, which are used to treat neuropathic pain and epilepsy.
Molecular Weight: 141.21
Molecular Formula: C8H15NO
Canonical SMILES: CCCCN1CCCC1=O
InChI: InChI=1S/C8H15NO/c1-2-3-6-9-7-4-5-8(9)10/h2-7H2,1H3
InChI Key: BNXZHVUCNYMNOS-UHFFFAOYSA-N
Boiling Point: 243.8±9.0 °C at 760 mmHg
Purity: 95%
Density: 1.0±0.1 g/cm3
Appearance: Colorless Clear Liquid
GHS Hazard Statement: H302 (82.02%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (34.21%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement: P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word: Warning
Complexity: 122
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 141.115364102
Formal Charge: 0
Heavy Atom Count: 10
Hydrogen Bond Acceptor Count: 1
Hydrogen Bond Donor Count: 0
Isotope Atom Count: 0
Monoisotopic Mass: 141.115364102
Rotatable Bond Count: 3
Topological Polar Surface Area: 20.3
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 1
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Related Functional Groups
Carbonyl Compounds
Pyrrolidines
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