Piperonylamine - ≥97%(GC) , CAS No.2620-50-0

CAS: 2620-50-0 Cat. No.: P133135 분자식: C₈H₉NO₂ 분자량: 151.17 Beilstein Registry Number: 19(3/4)4066 EC 번호: 220-056-1 PubChem CID: 75799

GRADE & PURITY ≥97%(GC)

Synonyms

1,3-Benzodioxole-5-methanamine | benzo[d][1,3]dioxol-5-ylmethylamine | (1,3-dioxaindan-5-yl)methanamine | MR1 | SB13499 | Q27463473 | NSC 75851 | 1-(1,3-benzodioxol-5-yl)methanamine | Benzo-1,3-dioxole-5-methylamine | SCHEMBL11082938 | (1,3-dioxaindan-5-y

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

개요

Piperonylamine is a metabolite of dopamine analogs. It is a pharmaceutical intermediate.

Specifications

동의어

1,3-Benzodioxole-5-methanamine | benzo[d][1,3]dioxol-5-ylmethylamine | (1,3-dioxaindan-5-yl)methanamine | MR1 | SB13499 | Q27463473 | NSC 75851 | 1-(1,3-benzodioxol-5-yl)methanamine | Benzo-1,3-dioxole-5-methylamine | SCHEMBL11082938 | (1,3-dioxaindan-5-y

사양 및 순도

≥97%(GC)

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥97%(GC)

이름과 식별자

Pubchem Sid

504754994

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754994

정식 스마일

C1OC2=C(O1)C=C(C=C2)CN

IUPAC Name

1,3-benzodioxol-5-ylmethanamine

InChIKey

ZILSBZLQGRBMOR-UHFFFAOYSA-N

INCHI

1S/C8H9NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,4-5,9H2

이성체 SMILES

C1OC2=C(O1)C=C(C=C2)CN

WGK 독일

3

PubChem CID

75799

분자량

151.17

Beilstein

19(3/4)4066

Reaxy-Rn

136996

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Benzodioxoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Benzodioxoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzodioxoles
• Alternative Parents: Aralkylamines Benzenoids Oxacyclic compounds Acetals Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzodioxole - Aralkylamine - Benzenoid - Oxacycle - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three 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: Sparingly soluble in water. (0.9 g/100 mL).
• 감도: air sensitive
• 굴절률: 1.564
• 발화점(°F): 230 °F
• 발화점(°C): 110 °C
• 끓는점(°C): 136-137°/11mm Hg
• 분자량: 151.160 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 151.063 Da
• Monoisotopic Mass: 151.063 Da
• Topological Polar Surface Area: 44.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 140.000
• 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

자주 묻는 질문

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2620-50-0, the molecular formula is C8H9NO2, and the molecular weight is 151.17 g/mol. InChIKey ZILSBZLQGRBMOR-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.