Butanammonium Acetate(BAAc) - ≥98% , CAS No.1641-36-7

CAS: 1641-36-7 Cat. No.: B736532 분자식: C₆H₁₅NO₂ 분자량: 133.19

등급 & 순도 ≥98%

Synonyms

BAAc,BAOAc

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

사양

동의어

BAAc,BAOAc

사양 및 순도

≥98%

보관 조건

Protected from light,Room temperature,Argon charged

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

528768937

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528768937

정식 스마일

CCCCN.CC(=O)O

IUPAC Name

acetic acid;butan-1-amine

InChIKey

LXTKCTMGEWVPTB-UHFFFAOYSA-N

INCHI

1S/C4H11N.C2H4O2/c1-2-3-4-5;1-2(3)4/h2-5H2,1H3;1H3,(H,3,4)

이성체 SMILES

CCCCN.CC(=O)O

분자량

133.19

Reaxy-Rn

4149743

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4149743&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
• 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

• 감도: Moisture sensitive；air sensitive；light sensitive
• 분자량: 133.190 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 133.11 Da
• Monoisotopic Mass: 133.11 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 44.100
• 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: 2

XLogP3