기본 정보
- CAS
57646-30-7- 표준 SMILES
COC(=O)C(C)N(C(=O)c1ccco1)c1c(C)cccc1C- InChIKey
CIEXPHRYOLIQQD-UHFFFAOYSA-N- 분자식
- C17H19NO4
- 평균 분자량
- 301.34 g/mol
- 단동위원소 질량
- 301.13140809
개요
Methyl N-(2,6-dimethylphenyl)-N-2-furoylalaninate is an alanine derivative that is the N-furoyl derivative of methyl N-(2,6-dimethylphenyl)alaninate. It is an alanine derivative, a member of furans, a methyl ester, a carboxamide and an aromatic amide.
이름 및 식별자
- 우선 이름
- Furalaxyl
- IUPAC
- methyl 2-[N-(furan-2-carbonyl)-2,6-dimethylanilino]propanoate
- 영어명
- FURALAXYL
- 분자식
- C17H19NO4
- 분자량
- 301.34
이름 및 동의어
Furalaxyl57646-30-7FongaridMethyl N-(2-furoyl)-N-(2,6-xylyl)-DL-alaninateA 5430DTXSID4047543CGA 381409OY703A81OMethyl N-(2,6-dimethylphenyl)-N-(2-furanylcarbonyl)-DL-alaninateMethyl N-(2,6-dimethylphenyl)-N-(2-furoyl)-DL-alaninateDTXCID2027543N-(2,6-Dimethylphenyl)-N-(2-furanylcarbonyl)-DL-alanine methyl ester
이름 더 보기
a5430fonganicga38140Fongaridefuralaxyl (bsi,iso)C13960000 FuralaxylFuralaxyl in Acetone
methyl 2-[N-(furan-2-carbonyl)-2,6-dimethyl-anilino]propanoatemethyl 2-(N-(furan-2-carbonyl)-2,6-dimethyl-anilino)propanoateRefChem:607722CHEBI:5194260-875-1FonganilFuralaxyl [BSI:ISO]EINECS 260-875-1
데이터베이스 식별자
- CAS
57646-30-7- PubChem CID
- 42504
- DTXSID
DTXSID4047543- ChEMBL
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 59.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 401
실험 및 물리화학적 성질
Pesticides
Fungicides
Active substance -> EU Pesticides database: Not approved
Pesticide
Pesticide (Furalaxyl) -> USDA PDB
LogP2.7
Collision Cross Section
161.4 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID4047543]
167.15 Ų [M+H]+ [CCS Type: TW]
물리화학적 성질
- 녹는점
- 70 ℃ · 70℃
- 끓는 점
- 420.1 · 420.1±45.0 °C(Predicted)
- 밀도
- 1.179 · 1.179±0.06 g/cm3(Predicted)
- 증기압
- 7 x · 7 x 10-5 Pa (20 °C)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 1.35 · 1.35±0.50(Predicted)
- 수용성
- 230 mg · 230mg l-1(20°C)
- 물리적 상태
- Solid
- 색상
- White to off-white
- BRN
- 6427785 · 6427785
- Henry's Law Constant
- 1.1 · 1.1×104 mol/(m3Pa) at 25℃, MacBean (2012)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Chemical: DL-Alanine, N-(2,6-dimethylphenyl)-N-(2-furanylcarbonyl)-, methyl ester
2002/2076
Furalaxyl: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity - category 4
Acute Tox. 4 *
안전 데이터
- wgk
- 2
- rtecs
- AY6320000
- HS 번호
- 29321900
- risk_code
- 22-52/53
- hazard_code
- Xn
- safety_code
- 36/37/39-61
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Furalaxyl is used for the control of soil-borne diseases caused by Phytophthora and Pythium species and other Oomycetes on ornamentals.
상·하류 제품 정보
상류 원료
공급사28 곳
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