2-[(S)-1-Hydroxyethyl]pyridine - ≥97%(GC)(T) , CAS No.59042-90-9

CAS: 59042-90-9 Cat. No.: S161029 분자식: C₇H₉NO 분자량: 123.16 Beilstein Registry Number: 21(5)2,204 EC 번호: 625-667-0 PubChem CID: 11094597

등급 & 순도 ≥97%(GC)(T)

Synonyms

(S)-1-(pyridin-2-yl)ethan-1-ol | 2-[(S)-1-Hydroxyethyl]pyridine | H1263 | C16040 | (S)-1-(2-Pyridyl)ethanol | (s)-1-(2-pyridyl)-ethanol | SCHEMBL1193974 | (S)-(-)-2-(1-HYDROXYETHYL)PYRIDINE | (1S)-1-(pyridin-2-yl)ethan-1-ol | (S)-1-Pyridin-2-yl-ethanol |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

사양

동의어

(S)-1-(pyridin-2-yl)ethan-1-ol | 2-[(S)-1-Hydroxyethyl]pyridine | H1263 | C16040 | (S)-1-(2-Pyridyl)ethanol | (s)-1-(2-pyridyl)-ethanol | SCHEMBL1193974 | (S)-(-)-2-(1-HYDROXYETHYL)PYRIDINE | (1S)-1-(pyridin-2-yl)ethan-1-ol | (S)-1-Pyridin-2-yl-ethanol |

사양 및 순도

≥97%(GC)(T)

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥97%(GC)(T)

이름과 식별자

Pubchem Sid

504765988

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765988

정식 스마일

CC(C1=CC=CC=N1)O

IUPAC Name

(1S)-1-pyridin-2-ylethanol

InChIKey

PPHIIIRFJKDTLG-LURJTMIESA-N

INCHI

1S/C7H9NO/c1-6(9)7-4-2-3-5-8-7/h2-6,9H,1H3/t6-/m0/s1

이성체 SMILES

C[C@@H](C1=CC=CC=N1)O

PubChem CID

11094597

분자량

123.16

Beilstein

21(5)2,204

Reaxy-Rn

1524524

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Heteroaromatic compounds Secondary alcohols Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Heteroaromatic compound - Secondary alcohol - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of 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

화학 및 물리적 특성

• 용해성: Soluble in Toluene
• 감도: Air Sensitive,Heat Sensitive
• 특정 회전[α]: -29° (C=1,Toluene)
• 발화점(°C): 81 °C
• 녹는점(°C): 29°C(lit.)
• 분자량: 123.150 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 123.068 Da
• Monoisotopic Mass: 123.068 Da
• Topological Polar Surface Area: 33.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 85.000
• 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