1-(3-Chloropropyl)piperidin-4-ol - ≥95% , CAS No.145285-36-5

CAS: 145285-36-5 Cat. No.: C190967 Summenformel: C₈H₁₆ClNO Molekulargewicht: 177.67

QUALITÄT & REINHEIT ≥95%

Synonyms

DTXSID30508165 | SB41565 | 1-(3-Chloro-propyl)-piperidin-4-ol | 1-(3-CHLOROPROPYL)PIPERIDIN-4-OL | E83310 | VFA28536 | DS-5288 | ADLTVEOBDGHJHS-UHFFFAOYSA-N | SCHEMBL3271630 | 4-Piperidinol, 1-(3-chloropropyl)- | A884636 | AKOS010542335

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Spezifikationen

Synonyme

DTXSID30508165 | SB41565 | 1-(3-Chloro-propyl)-piperidin-4-ol | 1-(3-CHLOROPROPYL)PIPERIDIN-4-OL | E83310 | VFA28536 | DS-5288 | ADLTVEOBDGHJHS-UHFFFAOYSA-N | SCHEMBL3271630 | 4-Piperidinol, 1-(3-chloropropyl)- | A884636 | AKOS010542335

Spezifikationen & Reinheit

≥95%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

488198232

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488198232

Kanonisches Lächeln

C1CN(CCC1O)CCCCl

IUPAC Name

1-(3-chloropropyl)piperidin-4-ol

InChIKey

ADLTVEOBDGHJHS-UHFFFAOYSA-N

INCHI

1S/C8H16ClNO/c9-4-1-5-10-6-2-8(11)3-7-10/h8,11H,1-7H2

Isomere SMILES

C1CN(CCC1O)CCCCl

Molekulargewicht

177.67

Reaxy-Rn

5805484

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5805484&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Piperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Piperidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidines
• Alternative Parents: Trialkylamines Secondary alcohols Azacyclic compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidine - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Azacycle - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Alkyl halide - Alkyl chloride - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five 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

• Molekulargewicht: 177.670 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 177.092 Da
• Monoisotopic Mass: 177.092 Da
• Topological Polar Surface Area: 23.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 102.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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