기본 정보
- CAS
26259-45-0- 표준 SMILES
CCNc1nc(NC(C)CC)nc(OC)n1- InChIKey
ZJMZZNVGNSWOOM-UHFFFAOYSA-N- 분자식
- C10H19N5O
- 평균 분자량
- 225.29 g/mol
- 단동위원소 질량
- 225.15896025
개요
N-(butan-2-yl)-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine is a diamino-1,3,5-triazine that is N-(butan-2-yl)-N'-ethyl-1,3,5-triazine-2,4-diamine substituted by a methoxy group at position 6. It is a diamino-1,3,5-triazine and a methoxy-1,3,5-triazine.
이름 및 식별자
- 우선 이름
- Secbumeton
- IUPAC
- 2-N-butan-2-yl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
- 영어명
- SECBUMETON
- 분자식
- C10H19N5O
- 분자량
- 225.29
이름 및 동의어
SECBUMETON26259-45-0DTXSID8037594EG062W4WWU1,3,5-Triazine-2,4-diamine, N-ethyl-6-methoxy-N'-(1-methylpropyl)-SECBUMETON [ISO]1,3,5-Triazine-2,4-diamine, N2-ethyl-6-methoxy-N4-(1-methylpropyl)-DTXCID60175942-(SEC-BUTYLAMINO)-4-ETHYLAMINO-6-METHOXY-S-TRIAZINERefChem:884780CHEBI:822282-(sec-butylamino)-4-(ethylamino)-6-methoxy-s-triazine
이름 더 보기
gs14254GS 14254secumbetonISOBUMETON
1,3,5-Triazine-2,4-diamine, N-ethyl-6-methoxy-N'-(1-methylpropyl)-(9CI)247-554-1EtazineSumitolSumitol 80WEzitansec-Bumetonesec-Bumeton
데이터베이스 식별자
- CAS
26259-45-0- PubChem CID
- 33443
- DTXSID
DTXSID8037594- ChEMBL
CHEMBL1894841- ChEBI
CHEBI:83786- UNII
- EG062W4WWU
- EC Number
- 247-554-1
- Nikkaji
- J20.114F
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 72 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 192
실험 및 물리화학적 성질
Pesticides
Herbicides
Active substance -> EU Pesticides database: Not approved
LogP2.96
Human DrugsPharmaceuticals
Collision Cross Section172.2 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID8037594]
물리화학적 성질
- 녹는점
- 87 ℃ · 87℃
- 끓는 점
- 366.8 °C · 366.8°C (rough estimate)
- 밀도
- 1.1038 · 1.1038 (rough estimate)
- 굴절률
- 1.761 · 1.7610 (estimate)
- 저장 조건
- 0 · 0-6°C
- 물리적 상태
- 수정 같은
- 산도 계수 (pKa)
- 4.39 · 4.39±0.10(Predicted)
- 수용성
- 619.6 mg/L · 619.6mg/L(20℃)
- BRN
- 8981797 · 8981797
- Henry's Law Constant
- 2.8 · 2.8×103 mol/(m3Pa) at 25℃, Mackay et al. (2006)
- 주요 응용
- 농업환경
- InChI
- 1S/C10H19N5O/c1-5-7(3)12-9-13-8(11-6-2)14-10(15-9)16-4/h7H,5-6H2,1-4H3,(H2,11,12,13,14,15)
- InChIKey
- ZJMZZNVGNSWOOM-UHFFFAOYSA-N
- SMILES
- CCNc1nc(NC(C)CC)nc(OC)n1
- EPA
- Secbumeton (26259-45-0)
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, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)
Warning
H302+H312 (92.9%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]
P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P317, P321, P330, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information2002/2076
Other Safety InformationIMAP assessments - 1,3,5-Triazine-2,4-diamine, N-ethyl-6-methoxy-N'-(1-methylpropyl)-: Environment tier I assessment
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity - category 4
Acute Tox. 4 *
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- XY4980000
- ridadr
- UN3077 9/PG 3
- 독성
- LD50 oral in rat: 1gm/kg
- HS 번호
- 29336990
- risk_code
- 22-36-50/53-21/22
- hazard_code
- Xn,N
- safety_code
- 60-61-36/37
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
Use ClassificationPharmaceuticals
General Manufacturing Information1,3,5-Triazine-2,4-diamine, N2-ethyl-6-methoxy-N4-(1-methylpropyl)-: INACTIVE
응용 분야
용도Secbumeton may be used as an analytical reference standard for the quantification of the analyte in environmental samples, agricultural commodities and vegetable samples using different chromatography techniques.
일반 설명Secbumeton belongs to the class of triazine herbicides, widely used in agriculture to obtain high yield productions. Its mode of action involves the inhibition of photosynthesis, thereby controlling thegrowthofgrassesand broadleafweeds.
공급사25 곳
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
Syntechem Co.,Ltd[email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海艾梯西生物科技有限公司18721763493 · [email protected]
上海毕楷科技有限公司18516304666 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
湖北万业众诚化学试剂有限责任公司18671296875 · [email protected]
上海西陇生化科技有限公司021-52907766-8042
山东西亚化学有限公司4009903999 13395398332 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
上海博湖生物科技有限公司021-57763112 13585886131 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
亚索试剂400-873-6778 18660992876 · [email protected]
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