부탄산,2-아미노-4-(히드록시메틸포스피닐)-,(2S)-

Glufosinate

HCID 4794CAS 35597-44-5
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CP(=O)(O)CCC(N)C(=O)O
InChIKey
IAJOBQBIJHVGMQ-UHFFFAOYSA-N
분자식
C5H12NO4P
평균 분자량
181.13 g/mol
단동위원소 질량
181.05039449

개요

2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid is a non-proteinogenic alpha-amino acid that is 2-aminobutanoic acid which is substituted at position 4 by a hydroxy(methyl)phosphoryl group. It is a member of phosphinic acids and a non-proteinogenic alpha-amino acid.

이름 및 식별자

우선 이름
Glufosinate
IUPAC
2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid
현지명
부탄산,2-아미노-4-(히드록시메틸포스피닐)-,(2S)-
영어명
Glufosinate-P
분자식
C5H12NO4P
분자량
181.13

이름 및 동의어

GLUFOSINATE51276-47-2DL-Phosphinothricin3-Amino-3-carboxypropylmethylphosphinic acidDL-2-Amino-4-(methylphosphino)butanoic acid(+-)-PhosphinothricinC8W4FP6BTYButanoic acid, 2-amino-4-(hydroxymethylphosphinyl)-HOE-35956DTXSID0043973HOE 359562-Amino-4-(hydroxymethylphosphinyl)butanoic acid
이름 더 보기
부탄산,2-아미노-4-(히드록시메틸포스피닐)-,(2S)-L-GlufosinateL-Glufosinate ammoniumL-PhosphinothricinGlufosinate Impurity 5L-GlufositeGlufosinate-PPhosphinothricine(S)-Phosphinothricin(S)-2-Amino-4-(hydroxymethylphosphinyl)butyric acid(S)-4-[Hydroxy(methyl)phosphinyl]-2-aminobutyric acid
(2RS)-2-AMINO-4-(HYDROXY(METHYL)PHOSPHINOYL)BUTYRIC ACID(3-azaniumyl-3-carboxypropyl)-methylphosphinate2-azaniumyl-4-(hydroxy(methyl)phosphoryl)butanoate4-(Hydroxy(methyl)phosphinoyl)-DL-homoalanineRefChem:663162DTXCID8023973CHEBI:52136257-102-5

데이터베이스 식별자

CAS
35597-44-5、51276-47-2
PubChem CID
4794
DTXSID
DTXSID0043973
ChEMBL
CHEMBL450298
ChEBI
CHEBI:142851
UNII
C8W4FP6BTY
EC Number
257-102-5
Nikkaji
J8.581B

물성

구조 계산 물성

XLogP
-5
극성 표면적
101 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
5
회전 가능 결합 수
4
무거운 원자 수
11

실험 및 물리화학적 성질

Pesticides · 5건

Herbicides

Active substance -> EU Pesticides database: Not approved

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Herbicides

Pesticide

Collision Cross Section · 2건

142.7 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]

139.3 Ų [M+H]+

물리화학적 성질

녹는점
209 · 209-210 °C
끓는 점
519.1 · 519.1±45.0 °C(Predicted)
밀도
1.378 · 1.378±0.06 g/cm3(Predicted)
산도 계수 (pKa)
2.22 · 2.22±0.10(Predicted)
InChI
InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1
InChIKey
IAJOBQBIJHVGMQ-BYPYZUCNSA-N

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H302+H312+H332 (61.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P203, P260, P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P308+P316, P317, P318, P319, P321, P330, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H360: May damage fertility or the unborn child [Danger Reproductive toxicity]

유해성 정보

Regulatory Information · 2건

Chemical: Butanoic acid, 2-amino-4-(hydroxymethylphosphinyl)-

07/25/EC, Reg (EU) 2015/408, Reg. (EU) 2015/404, Reg. (EU) 2022/801, Reg. (EU) No 365/2013, Reg. (EU) No 540/2011

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and Categories · 3건

Acute Tox. 4 (95.7%)

Acute toxicity (Oral) - Category 4

Reproductive toxicity - Category 1B

독성 정보

Health EffectsSeizures; muscle weakness (post-status epileptic myopathy); convulsions; and even death. (T10)
Toxicity SummaryGlufosinate irreversibly inhibits the enzyme glutamine synthetase, which decreases ammonia detoxification. Increased ammonia levels lead to impairment of photorespiration and photosynthesis in plants. (T10)
Signs and SymptomsNausea, vomiting, and diarrhea that is followed in 24h by impaired respiration. (T10)
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
USGS Health-Based Screening Levels for Evaluating Water-Quality · 6건

Glufosinate

62721

Pesticide

30

Data are for glufosinate-ammonium CASRN 77182822

Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP

안전 데이터

신호 어
Danger
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

Pesticides used to destroy unwanted vegetation, especially various types of weeds, grasses (POACEAE), and woody plants. Some plants develop HERBICIDE RESISTANCE.

용도 및 제조

Use Classification · 2건

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Herbicides

상·하류 제품 정보

공급사25 곳

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]

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