CAS 67306-03-0 4-(3-(4-(1,1-Dimethylethyl)phenyl)-2-methylpropyl)-2,6-dimethylmorpholine (HCID 91695)

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

물성

구조 계산 물성

XLogP: 5.2
극성 표면적: 12.5 Å²
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

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

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]

화합물 노트

불러오는 중…

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