1-Ethyl-3-pyrrolidinol - >95.0%(GC) , CAS No.30727-14-1

CAS: 30727-14-1 Cat. No.: E138645 Summenformel: C₆H₁₃NO Molekulargewicht: 115.17 Beilstein Registry Number: 21(3/4)5 EG-Nummer: 250-310-7 PubChem CID: 98203

Synonyms

EN300-1247678 | EINECS 250-310-7 | N-Ethyl-3-pyrrolidinol | DTXSID001314369 | 5-21-01-00016 (Beilstein Handbook Reference) | AKOS009156704 | AMY31539 | BCP11284 | MFCD00003179 | E0425 | J-018084 | 1-Ethyl-3-pyrrolidinol, 97% | WLN: T5NTJ A2 CQ | BRN 01029

Storage

Argon charged

Shipped In

Normal

Spezifikationen

Synonyme

EN300-1247678 | EINECS 250-310-7 | N-Ethyl-3-pyrrolidinol | DTXSID001314369 | 5-21-01-00016 (Beilstein Handbook Reference) | AKOS009156704 | AMY31539 | BCP11284 | MFCD00003179 | E0425 | J-018084 | 1-Ethyl-3-pyrrolidinol, 97% | WLN: T5NTJ A2 CQ | BRN 01029

Spezifikationen & Reinheit

>95.0%(GC)

Storage

Argon charged

Verschickt in

Normal

Namen und Kennungen

Kanonisches Lächeln

CCN1CCC(C1)O

IUPAC Name

1-ethylpyrrolidin-3-ol

InChIKey

IDBNECMSCRAUNU-UHFFFAOYSA-N

INCHI

1S/C6H13NO/c1-2-7-4-3-6(8)5-7/h6,8H,2-5H2,1H3

Isomere SMILES

CCN1CCC(C1)O

WGK Deutschland

3

RTECS

UY5685500

PubChem CID

98203

Molekulargewicht

115.17

Beilstein

21(3/4)5

Reaxy-Rn

102963

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyrrolidines
      • Subclass N-alkylpyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyrrolidines
• Subclass: N-alkylpyrrolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-alkylpyrrolidines
• Alternative Parents: Trialkylamines Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: N-alkylpyrrolidine - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - 1,2-aminoalcohol - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as n-alkylpyrrolidines. These are compounds containing a pyrrolidine moiety that is substituted at the N1-position with an alkyl group. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air Sensitive
• Brechungsindex: 1.47
• Flammpunkt (°F): 165.2 °F
• Flammpunkt (°C): 74 °C
• Siedepunkt (°C): 110 °C/35 mmHg
• Molekulargewicht: 115.170 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 115.1 Da
• Monoisotopic Mass: 115.1 Da
• Topological Polar Surface Area: 23.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 74.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

How should this product be stored?

Store under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 30727-14-1, the molecular formula is C6H13NO, and the molecular weight is 115.17 g/mol. InChIKey IDBNECMSCRAUNU-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.