(S)-(-)-1-Phenylethanol - 10mM in DMSO , CAS No.1445-91-6

CAS: 1445-91-6 Cat. No.: S421634 분자식: C₈H₁₀O 분자량: 122.16 Beilstein Registry Number: 2039797 EC 번호: 604-424-2

GRADE & PURITY 10mM in DMSO

Synonyms

Benzenemethanol, .alpha.-methyl-, (.alpha.S)- | J-501784 | EX-A4418 | J-007970 | (S)-1-Phenethyl alcohol | (s)-1-phenyl-1-ethanol | MFCD00064264 | Z360055168 | A 41-304 | (-)-(S)-1-PHENYLETHANOL | Q26841260 | 2MIC4QLY2X | (1S)-1-Phenylethan-1-Ol | (1S)-1-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs,FedEx DG Service

Specifications

동의어

Benzenemethanol, .alpha.-methyl-, (.alpha.S)- | J-501784 | EX-A4418 | J-007970 | (S)-1-Phenethyl alcohol | (s)-1-phenyl-1-ethanol | MFCD00064264 | Z360055168 | A 41-304 | (-)-(S)-1-PHENYLETHANOL | Q26841260 | 2MIC4QLY2X | (1S)-1-Phenylethan-1-Ol | (1S)-1-

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs,FedEx DG Service

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이름과 식별자

Pubchem Sid

528753294

정식 스마일

CC(C1=CC=CC=C1)O

IUPAC Name

(1S)-1-phenylethanol

InChIKey

WAPNOHKVXSQRPX-ZETCQYMHSA-N

INCHI

1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m0/s1

이성체 SMILES

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

WGK 독일

3

RTECS

DO9275000

UN 번호

2937

포장 그룹

III

분자량

122.16

Beilstein

2039797

Reaxy-Rn

1905149

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1905149&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Secondary alcohols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• External Descriptors: 1-phenylethanol

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

관련 대상(비인간)

Sult1a1 Aryl sulfotransferase (136 Activities)

Discover Target: Sult1a1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 굴절률: 1.526-1.528
• 특정 회전[α]: -43 ° (neat)
• 발화점(°F): 186.8 °F
• 발화점(°C): 85℃
• 끓는점(°C): 98 °C/20 mmHg
• 녹는점(°C): 9-11°C
• 분자량: 122.160 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 122.073 Da
• Monoisotopic Mass: 122.073 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 74.600
• 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