기본 정보
- CAS
1854-23-5- 표준 SMILES
CCC(CN1CCOCC1)(CN1CCOCC1)[N+](=O)[O-]- InChIKey
XPGDDCOXMUFUCB-UHFFFAOYSA-N- 분자식
- C13H25N3O4
- 평균 분자량
- 287.36 g/mol
- 단동위원소 질량
- 287.18450629
개요
4,4'-(ethyl-2-nitropropane-1,3-diyl)bismorpholine is a C-nitro compound that is a bismorpholine consisting of two morpholinomethyl groups bonded to C-1 of 1-nitropropane. It has a role as an allergen. It is a C-nitro compound and a member of morpholines.
이름 및 식별자
- 우선 이름
- 4,4'-(2-Ethyl-2-nitro-1,3-propanediyl)bismorpholine
- IUPAC
- 4-[2-(morpholin-4-ylmethyl)-2-nitrobutyl]morpholine
- 현지명
- 4,4'-(2-에틸-2-니트로프로판-1,3-디일)비스모르폴린
- 영어명
- 4,4'-(2-ethyl-2-nitropropane-1,3-diyl)bismorpholine
- 분자식
- C13H25N3O4
- 분자량
- 287.36
이름 및 동의어
1854-23-54,4'-(2-ETHYL-2-NITROTRIMETHYLENE)DIMORPHOLINE4,4'-(2-Ethyl-2-nitropropane-1,3-diyl)bismorpholine4-[2-(morpholin-4-ylmethyl)-2-nitrobutyl]morpholine4,4'-(ethyl-2-nitropropane-1,3-diyl)bismorpholineEINECS 217-450-0LKD3T9KQ74Morpholine, 4,4'-(2-ethyl-2-nitro-1,3-propanediyl)bis-CHEBI:55483Morpholine, 4,4'-(2-ethyl-2-nitrotrimethylene)di-4,4'-(2-Ethyl-2-nitro-1,3-propanediyl)bismorpholineJ86.549D
이름 더 보기
4,4'-(2-에틸-2-니트로프로판-1,3-디일)비스모르폴린4,4-(2-ethyl-2-nitrotrimethylene)2-Ethyl-1,3-dimorpholino-2-nitropropane4,4-(2-Ethyl-2-nitrotrimethylene) dimorpholineMorpholine, 4,4-(2-ethyl-2-nitro-1,3-propanediyl)bis-
DTXSID80347464,4'-(ethyl-2-nitro-1,3-propanediyl)bismorpholine4,4'-(ethyl-2-nitro-1,3-propanediyl)-bis morpholine2-ETHYL-1,3-DIMORPHOLINE-2-NITROPROPANE2-NITRO-2-ETHYL-1,3-DIMORPHOLINOPROPANE4-(2-(4-MORPHOLINYLMETHYL)-2-NITROBUTYL)MORPHOLINE4,4'-(2-ETHYL-2-NITRO-1,3-PROPANEDIYL)BIS MORPHOLINE4-(2-(morpholin-4-ylmethyl)-2-nitrobutyl)morpholine
물성
구조 계산 물성
- XLogP
- 0.1
- 극성 표면적
- 70.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 289
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Morpholines
Physical Description2% active ingredient of Bioban P-147; [Reference #1]
물리화학적 성질
- 끓는 점
- 349.65 °C · 349.65°C (rough estimate)
- 밀도
- 1.135 · 1.135±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 5.62 · 5.62±0.10(Predicted)
- EPA
- 4 · 4,4'-(2-Ethyl-2-nitrotrimethylene)dimorpholine (1854-23-5)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P316, P317, P321, P330, P332+P317, P333+P317, P361+P364, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 20 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Morpholine, 4,4'-(2-ethyl-2-nitro-1,3-propanediyl)bis-
Morpholine, 4,4'-(2-ethyl-2-nitro-1,3-propanediyl)bis-: 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.
Hazards Summary
Allergic contact dermatitis reported in machinists; Bioban P-1487 is a mixture of two sensitizers: 4-(2-nitrobutyl)morpholine (2224-44-4) and 4,4'-(2-ethyl-2-nitro-1,3-propanediyl)-bis morpholine (1854-23-5); [Kanerva, p. 1758-2] See Bioban P-1487. See 4-(2-Nitrobutyl)morpholine.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 및 보호
Exposure Control and Personal Protection0.5 [ppm]
독성 정보
Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
화학 및 산업
용도 및 제조
Uses
Bioban P-1487: Used as an antimicrobial for industrial processes and water systems (metal working fluids, oil and fuel storage tank bottom water, diesel oil, fuel oil, kerosene, and gasoline) and as a materials preservative (metal die cast lubricants, corrosion inhibiting metal coatings, mold release agents in plastics manufacture, and fuel conditioners for diesel engines); [Reference #1]
Metal Preparation and Pouring [Category: Foundry]
응용 분야
용도4,4-(2-Ethyl-2-nitrotrimethylene)-dimorpholine is a preservative for use in cooling fluids, crude oil, diesel fuel, heating oil, etc. (20% in Bioban P 1487).
공급사1 곳
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
추가 설명
정의ChEBI: A C-nitro compound that is a bismorpholine consisting of two morpholinomethyl groups bonded to C-1 of 1-nitropropane.
관련 반응
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