N-Methyl-L-prolinol - ≥97% , CAS No.34381-71-0

CAS: 34381-71-0 Cat. No.: S303491 Formula: C₆H₁₃NO Peso molecolare: 115.17 Numero EC: 251-981-9

GRADE & PURITY ≥97%

Synonyms

[(2S)-1-methyl-2-pyrrolidinyl]methanol | 2-Pyrrolidinemethanol, 1-methyl-, (S)- | (S)-(+)-2-(Hydroxymethyl)-1-methylpyrrolidine | N-methyl prolinol | (S)-1-methylpyrrolidin-2-ylmethanol | EN300-95661 | Q-101778 | (2S)-1-Methylpyrrolidin-2-ylmethanol | N-M

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

[(2S)-1-methyl-2-pyrrolidinyl]methanol | 2-Pyrrolidinemethanol, 1-methyl-, (S)- | (S)-(+)-2-(Hydroxymethyl)-1-methylpyrrolidine | N-methyl prolinol | (S)-1-methylpyrrolidin-2-ylmethanol | EN300-95661 | Q-101778 | (2S)-1-Methylpyrrolidin-2-ylmethanol | N-M

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

508810934

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508810934

Sorrisi canonici

CN1CCCC1CO

IUPAC Name

[(2S)-1-methylpyrrolidin-2-yl]methanol

InChIKey

VCOJPHPOVDIRJK-LURJTMIESA-N

INCHI

1S/C6H13NO/c1-7-4-2-3-6(7)5-8/h6,8H,2-5H2,1H3/t6-/m0/s1

Isomeri SMILES

CN1CCC[C@H]1CO

Peso molecolare

115.17

Reaxy-Rn

79852

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=79852&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyrrolidines
• Subclass: N-alkylpyrrolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-alkylpyrrolidines
• Alternative Parents: Trialkylamines 1,2-aminoalcohols Azacyclic compounds Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: N-alkylpyrrolidine - Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aliphatic heteromonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive. &air sensitive
• Indice di rifrazione: n20/D 1.469(lit.)
• Rotazione specifica [α]: α19/D −49.5°, c = 5 in methanol
• Punto di infiammabilità (°C): 63°C
• Punto di ebollizione (°C): 67-69°C/12 mmHg(lit.)
• Peso molecolare: 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: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1