(S)-3-Hydroxymethylmorpholine - ≥95% , CAS No.211053-50-8

CAS: 211053-50-8 Cat. No.: S192022 분자식: C₅H₁₁NO₂ 분자량: 117.15 EC 번호: 866-418-8

GRADE & PURITY ≥95%

Synonyms

(S)-morpholin-3-ylmethanol | (S)-morpholin-3-yl-methanol | 3-MORPHOLINEMETHANOL, (3S)- | UCDFBOLUCCNTDQ-YFKPBYRVSA-N | AMY22661 | SCHEMBL18375 | A18442 | 3(S)-Hydroxymethylmorpholine | MFCD06799480 | DTXSID00363824 | (S)-3-HYDROXYMETHYLMORPHOLINE | (S)-3-

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

동의어

(S)-morpholin-3-ylmethanol | (S)-morpholin-3-yl-methanol | 3-MORPHOLINEMETHANOL, (3S)- | UCDFBOLUCCNTDQ-YFKPBYRVSA-N | AMY22661 | SCHEMBL18375 | A18442 | 3(S)-Hydroxymethylmorpholine | MFCD06799480 | DTXSID00363824 | (S)-3-HYDROXYMETHYLMORPHOLINE | (S)-3-

사양 및 순도

≥95%

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

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순수함

≥95%

이름과 식별자

• Pubchem Sid: 528753393
• 정식 스마일: C1COCC(N1)CO
• IUPAC Name: [(3S)-morpholin-3-yl]methanol
• InChIKey: UCDFBOLUCCNTDQ-YFKPBYRVSA-N
• INCHI: 1S/C5H11NO2/c7-3-5-4-8-2-1-6-5/h5-7H,1-4H2/t5-/m0/s1
• 이성체 SMILES: C1COC[C@@H](N1)CO
• 대체 CAS: 218594-79-7
• 분자량: 117.15
• Reaxy-Rn: 4950960
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4950960&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Morpholines
• Alternative Parents: 1,2-aminoalcohols Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Morpholine - 1,2-aminoalcohol - Dialkyl ether - Secondary aliphatic amine - Ether - Secondary amine - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Primary alcohol - Amine - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.
• 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

• 분자량: 117.150 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 117.079 Da
• Monoisotopic Mass: 117.079 Da
• Topological Polar Surface Area: 41.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 67.400
• 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