Benalaxyl

HCID 51369CAS 71626-11-4
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
COC(=O)C(C)N(C(=O)Cc1ccccc1)c1c(C)cccc1C
InChIKey
CJPQIRJHIZUAQP-UHFFFAOYSA-N
분자식
C20H23NO3
평균 분자량
325.4 g/mol
단동위원소 질량
325.1677936

개요

Methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate is an alanine derivative that is the N-phenylacetyl derivative of methyl N-(2,6-dimethylphenyl)alaninate. It is an alanine derivative, a methyl ester, a carboxamide and an aromatic amide.

이름 및 식별자

우선 이름
Benalaxyl
IUPAC
methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate
영어명
Benalaxyl
분자식
C20H23NO3
분자량
325.4

이름 및 동의어

BENALAXYL71626-11-4Galbenmethyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoateDTXSID3041619M 983418TH6NY90JMethyl N-phenylacetyl-N-2,6-xylyl-DL-alaninateDTXCID1021619Methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)-DL-alaninateAlanine, N-(2,6-dimethylphenyl)-N-(phenylacetyl)-, methyl esterM-9834
이름 더 보기
m9834TF 3675BenalaxyifarmoplantBENALAXYL 0.92Benalaxyl Standardbenalaxyl (bsi,iso)C10440000 Benalaxyl
RefChem:561235CHEBI:3009methyl N-phenylacetyl-N-2,6-xylylalaninate275-728-7Benalaxyl [BSI:ISO]Caswell No. 471ACEINECS 275-728-7methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate

데이터베이스 식별자

CAS
71626-11-4
PubChem CID
51369
DTXSID
DTXSID3041619
ChEMBL
CHEMBL2286691
ChEBI
CHEBI:82777
UNII
18TH6NY90J
EC Number
275-728-7

물성

구조 계산 물성

XLogP
3.4
극성 표면적
46.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
6
무거운 원자 수
24

실험 및 물리화학적 성질

Pesticides · 4건

Fungicides

Active substance -> EU Pesticides database: Not approved

Fungicides

Pesticide (Benalaxyl) -> USDA PDB

Endocrine DisruptorsPotential endocrine disrupting compound
Ionization Efficiency · 6건

Positive

3.38

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Collision Cross Section171.7 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID3041619]

물리화학적 성질

녹는점
78 · 78-80°C
끓는 점
463.59 °C · 463.59°C (rough estimate)
밀도
1.27 · 1.2700
증기압
6.6 x · 6.6 x 10-5 Pa (25 °C)
굴절률
1.5614 · 1.5614 (estimate)
저장 조건
0 · 0-6°C

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)

Warning

H302 (21.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory Information · 3건

Commission Regulation No 844/2012

04/58/EC, Reg. (EU) 2017/841, Reg. (EU) 2018/917, Reg. (EU) 2019/707, Reg. (EU) 2020/1280, Reg. (EU) 2020/869, Reg. (EU) No 540/2011

Benalaxyl: 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 · 3건

Acute Tox. 4 (21.9%)

Hazardous to the aquatic environment (acute) - category 1

Acute Tox. 4

안전 데이터

wgk
2
rtecs
AY5993200
ridadr
UN 3077
독성
LD50 in rats (mg/kg): 4200 orally; 1100 i.p.; LC50 (96 hr) in rainbow trout: 3.75 mg/l (Bergamaschi)
HS 번호
29242990
risk_code
50/53

화학 및 산업

용도 및 제조

Use ClassificationFungicides

응용 분야

용도Benalaxyl is used for the control of Oomycetes on a wide range of crops, fruit, flowers, ornamentals and turf.

상·하류 제품 정보

하류 제품

공급사50 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏瑞点药业有限公司15896106238 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]

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