Determine the necessary mass, volume, or concentration for preparing a solution.
4-Ethoxy-3,5-difluorobenzylamine - ≥95% , CAS No.1017779-32-6
주문 가능
등급 & 순도 ≥95%
Storage
Room temperature
이 등급을 선택하는 이유
≥95% 최소한의 기준선 간섭이 필요한 민감한 크로마토그래피 및 분석 워크플로우용.
보관 및 배송
Room temperature 출고. 정확한 사양은 로트별 COA를 확인하세요.
품질 문서
SDS, COA, 데이터시트, 사양서를 다운로드할 수 있습니다. 로트별 COA는 로트 번호 조회를 통해 확인할 수 있습니다.
문헌적 근거
크로마토그래피, 유기 합성 및 교차 커플링 반응 분야의 동료 심사 논문 0편에서 인용되었습니다.
사양
사양 및 순도
≥95%
보관 조건
Room temperature
순수함
≥95%
이름과 식별자
정식 스마일
CCOC1=C(C=C(C=C1F)CN)F
IUPAC Name
(4-ethoxy-3,5-difluorophenyl)methanamine
InChIKey
ZFFNQIUQXUZZTP-UHFFFAOYSA-N
INCHI
1S/C9H11F2NO/c1-2-13-9-7(10)3-6(5-12)4-8(9)11/h3-4H,2,5,12H2,1H3
이성체 SMILES
CCOC1=C(C=C(C=C1F)CN)F
PubChem CID
46737609
분자량
187.19
문서
📋 안전 데이터 시트(SDS)
위험성, 취급, 보관 및 규제 준수를 포괄하는 종합 문서.
<<<<<<< HEAD SDS 다운로드 → ======= SDS 다운로드 → >>>>>>> release248-p3고급 데이터
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| 분류 | Benzene and substituted derivatives |
| Subclass | Phenylmethylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylmethylamines |
| Alternative Parents | Phenoxy compounds Phenol ethers Benzylamines Fluorobenzenes Aralkylamines Alkyl aryl ethers Aryl fluorides Organofluorides Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - Benzylamine - Phenylmethylamine - Phenol ether - Alkyl aryl ether - Aralkylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Ether - Organic nitrogen compound - Organohalogen compound - Primary aliphatic amine - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxygen compound - Amine - Aromatic homomonocyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine. |
| External Descriptors | Not available |
3D 구조
상호 작용 화학 구조 모델
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
화학 및 물리적 특성
| 분자량 | 187.190 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 187.081 Da |
| Monoisotopic Mass | 187.081 Da |
| Topological Polar Surface Area | 35.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 145.000 |
| 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 |
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