5-Benzyl-2,2,3-trimethylimidazolidin-4-one hydrochloride, (5S)-
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기본 정보
- CAS
278173-23-2- 표준 SMILES
CN1C(=O)[C@H](Cc2ccccc2)NC1(C)C.Cl- InChIKey
YIYFEXGDFJLJGM-MERQFXBCSA-N- 분자식
- C13H19ClN2O
- 평균 분자량
- 254.75 g/mol
- 단동위원소 질량
- 254.1185909
이름 및 식별자
- 우선 이름
- 5-Benzyl-2,2,3-trimethylimidazolidin-4-one hydrochloride, (5S)-
- IUPAC
- (5S)-5-benzyl-2,2,3-trimethylimidazolidin-4-one;hydrochloride
- 영어명
- (5S)-2 2 3-TRIMETHYL-5-PHENYLMETHYL-4-I&
- 분자식
- C13H18N2O.ClH
- 분자량
- 254.759
이름 및 동의어
278173-23-24-Imidazolidinone, 2,2,3-trimethyl-5-(phenylmethyl)-, hydrochloride (1:1), (5S)-785PBY3X4M5-Benzyl-2,2,3-trimethylimidazolidin-4-one hydrochloride, (5S)-Macmillan's imidazolidinone first generation catalyst hydrochloride(S)-5-Benzyl-2,2,3-trimethylimidazolidin-4-one hydrochloride, (-)-4-Imidazolidinone, 2,2,3-trimethyl-5-(phenylmethyl)-, monohydrochloride, (5S)-RefChem:1072661Macmillan's imidazolidinone catalysts first generation catalyst hydrochloride(5S)-(-)-2,2,3-Trimethyl-5-benzyl-4-imidazolidinone monohydrochloride(5S)-2,2,3-Trimethyl-5-benzyl-4-imidazolidinone hydrochloride(S)-5-benzyl-2,2,3-trimethylimidazolidin-4-one hydrochloride
이름 더 보기
(5S)-2 2 3-TRIMETHYL-5-PHENYLMETHYL-4-I&(5S)-2,2,3-Trimethyl-5-benzyl-4-imidazolidinonehydro(5S)-5-benzyl-2,2,3-trimethylimidazolidin-4-one,hydrochloride(5S)-2,2,3-trimethyl-5-phenylmethyl-4-imidazolidinone monohy...(S)-(-)-5-Benzyl-2,2,3-trimethyl-4-imidazolidinone Hydrochloride(5S)-2,2,3-Trimethyl-5-benzyl-4-imidazolidinone Hydrochloride,99%e.e.
MFCD03426983(5S)-5-benzyl-2,2,3-trimethylimidazolidin-4-one hydrochloride(5S)-5-benzyl-2,2,3-trimethylimidazolidin-4-one;hydrochlorideMacmillan's imidazolidinone catalysts first generation catalyst hydrochloride [MI]UNII-785PBY3X4MSCHEMBL1262274DTXSID60431497YIYFEXGDFJLJGM-MERQFXBCSA-N
데이터베이스 식별자
- CAS
278173-23-2- PubChem CID
- 9834882
- DTXSID
DTXSID60431497- UNII
- 785PBY3X4M
- EC Number
- 878-912-0
물성
구조 계산 물성보충 중
- 극성 표면적
- 32.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 269
물리화학적 성질
- 녹는점
- 157 · 157-161 °C(lit.)
- 저장 조건
- Store at room temperature
- 물리적 상태
- solid
- InChI
- InChI=1/C13H18N2O.ClH/c1-13(2)14-11(12(16)15(13)3)9-10-7-5-4-6-8-10;/h4-8,11,14H,9H2,1-3H3;1H/t11-;/s3
- InChIKey
- YIYFEXGDFJLJGM-XAAIUDFWNA-N
- SMILES
- [C@@H]1(CC2C=CC=CC=2)NC(C)(C)N(C)C1=O.Cl |&1:0,r|
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- 스토리지 클래스
- 13 - Non Combustible Solids
화학 및 산업
응용 분야
용도Metal-free OrganoCatalyst technology for asymmetric catalysis. Catalyzes asymmetric Diels-Alder reactions, 1,3-dipolar additions and pyrrole alkylations in high enantiomeric excess.
관련 반응
20건
화합물 노트
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