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4-(3-(4-(1,1-Dimethylethyl)phenyl)-2-methylpropyl)-2,6-dimethylmorpholine

HCID 91695
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
67306-03-0
표준 SMILES
CC(Cc1ccc(C(C)(C)C)cc1)CN1CC(C)OC(C)C1
InChIKey
RYAUSSKQMZRMAI-UHFFFAOYSA-N
분자식
C20H33NO
평균 분자량
303.5 g/mol
단동위원소 질량
303.25621468

개요

4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine is a member of the class of morpholines that is 2,6-dimethylmorpholine in which the hydrogen attached to the nitrogen is replaced by a 3-(p-tert-butylphenyl)-2-methylpropyl group.

이름 및 식별자

우선 이름
4-(3-(4-(1,1-Dimethylethyl)phenyl)-2-methylpropyl)-2,6-dimethylmorpholine
IUPAC
4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine
영어명
FENPROPIMORPH
분자식
C20H33NO
분자량
303.48

이름 및 동의어

67306-03-0DTXSID0010156224-(3-(4-(1,1-Dimethylethyl)phenyl)-2-methylpropyl)-2,6-dimethylmorpholine4-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholineRefChem:1069874DTXCID3031999266-639-44-[3-(4-tert-Butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine76492-92-7Morpholine, 4-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethyl-FenpropemorphMorpholine, 4-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-2,6-dimethyl-, (4(R)-cis)-
이름 더 보기
CORBELFUNBASbas421fMISTRALBAS 421FMILDOFIXbas42100fMISTRAL Tforbel750lab108406
SCHEMBL22363cis-4-[3-(4-tert-Butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholineCHEBI:50148Morpholine, 4-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethyl-, cis-NCGC00166164-01DB-055013DB-073899NS00010881

데이터베이스 식별자

CAS
67306-03-0、76492-92-7
PubChem CID
91695
DTXSID
DTXSID001015622
ChEBI
CHEBI:50148
EC Number
266-639-4
Nikkaji
J21.612G

물성

구조 계산 물성

XLogP
5.2
극성 표면적
12.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
5
무거운 원자 수
22
형식 전하
0
복잡도
317

물리화학적 성질

녹는점
25 °C · 25°C
끓는 점
0.05 · bp0.05 120°
밀도
0.9804 · 0.9804 (rough estimate)
굴절률
1.5614 · 1.5614 (estimate)
저장 조건
0 · 0-6°C
산도 계수 (pKa)
7.336 · 7.336±0.10(predicted)
수용성
4.3 mg/L · 4.3mg/L(온도는 명시되지 않음)
EPA
Fenpropimorph (67306-03-0)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

유해성 정보

Regulatory InformationFenpropimorph (unstated stereochemistry): 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.
Other Safety InformationIMAP assessments - Morpholine, 4-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-2,6-dimethyl-: Environment tier I assessment

독성 정보

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

안전 데이터

ridadr
2902
독성
LD50 in male, female rats (mg/kg): 3650, 3420 orally; 4200, 4380 dermally; in male, female mice (mg/kg): 1180, 1270 i.p. (Bohnen)
HS 번호
29349990
포장분류
III
위험 등급
6.1(b)

화학 및 산업

상·하류 제품 정보

상류 원료

디메틸모르폴린N,N-다이메틸폼아마이드아세토페논부틸(3차)벤젠메타크롤레인이소부틸알데히드

공급사31 곳

苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
深圳市思美泉生物科技有限公司17683743113;18038040196 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
南京生利德生物科技有限公司025-57798810 18652991625 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Hangzhou HeRui Chemical Co., Ltd0086-571-87396576 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
武汉沃格达生物科技有限公司15071299552 · [email protected]
南京罗迈美生物科技有限公司[email protected]
湖北世腾化工科技有限公司19086915685 18971850150 · [email protected]
金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
广州佳途科技股份有限公司020-81960175-877 18933936954 · [email protected]
湖北鼎诚世佳医药化工有限公司13995602569 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-15350571055 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
湖北信康医药化工有限公司027-027-59308705 18871579363 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
Wuhan Topule Biopharmaceutical Co., Ltd+86-18327326525 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
南京枫景晴生物科技有限公司15062262630 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
武汉青衫合源生物科技有限公司027-18327024450 18327024450 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
Henan Fengda Chemical Co., Ltd+86-371-86557731 +86-13613820652 · [email protected]
湖北实顺生物科技有限公司027-59223025 15107168801 · [email protected]

추가 설명

정의ChEBI: A member of the class of morpholines that is 2,6-dimethylmorpholine in which the hydrogen attached to the nitrogen is replaced by a 3-(p-tert-butylphenyl)-2-methylpropyl group.

관련 반응

2건
반응 기록 만들기
HRID 698898 반응식
HRID 698898반응물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1733269 반응식
HRID 1733269반응물로uspto-grants-1980_12

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