(4R,5S)-(-)-1,5-Dimethyl-4-phenyl-2-imidazolidinone

HCID 6931391

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 190791-33-4
표준 SMILES: C[C@H]1[C@@H](c2ccccc2)NC(=O)N1C
InChIKey: BGPAZBKCZVVZGF-WPRPVWTQSA-N
분자식: C11H14N2O
평균 분자량: 190.24 g/mol
단동위원소 질량: 190.11061307

이름 및 식별자

우선 이름: (4R,5S)-(-)-1,5-Dimethyl-4-phenyl-2-imidazolidinone
IUPAC: (4R,5S)-1,5-dimethyl-4-phenylimidazolidin-2-one
영어명: (4R 5s)-1 5-dimethyl-4-phenyl-2-imidazolidone
분자식: C11H14N2O
분자량: 190.24

이름 및 동의어

92841-65-1(4R,5S)-(-)-1,5-Dimethyl-4-phenyl-2-imidazolidinoneDTXSID9049374DTXCID6029333RefChem:209187(4R,5S)-1,5-dimethyl-4-phenylimidazolidin-2-one(4R,5S)-1,5-dimethyl-4-phenyl-2-imidazolidinoneSCHEMBL2370351CHEMBL3189109Tox21_202878AKOS015913769AT31576

이름 더 보기

1,5-dimethyl-4-phenyl-2-imidazolidine(4R,5S)-1,5-DIMETHYL-4-PHENYLIMIDAZOLIDINONE(4R 5s)-1 5-dimethyl-4-phenyl-2-imidazolidone(4R)-4α-Phenyl-1,5α-dimethylimidazolidine-2-one(4R,5S)-1,5-Dimethyl-4-phenylimidazolidine-2-one[4R,5S,(-)]-1,5-Dimethyl-4-phenylimidazolidin-2-one2-Imidazolidinone, 1,5-dimethyl-4-phenyl-, (4R,5S)-(4R,5S)-(-)-1,5-DiMethyl-4-phenyl-2-iMidazolidinone 97%(4R,5S)-(?)-1,5-Dimethyl-4-phenyl-2-imidazolidinone

NCGC00260424-01CAS-92841-65-1(4R,5S)-1,5dimethyl4-phenyl-2-imidazolidinone(4R, 5S)-1,5-dimethyl-4-phenyl-2-imidazolidinone(4r, 5s)-1,5-dimethyl-4-phenylimidazolidin-2-one(4R,5S)-1,5-dimethyl-4-phenyl-imidazolidin-2-one(4R, 5S)-1,5-dimethyl-4-phenyl-imidazolidin-2-one(4R, 5S)-1,5-dimethyl-4-phenylimidazolidin -2-one

데이터베이스 식별자

CAS: 190791-33-4、92841-65-1
PubChem CID: 6931391
DTXSID: DTXSID9049374
ChEMBL: CHEMBL3189109
Nikkaji: J308.016A

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 32.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 223

물리화학적 성질

녹는점: 171 · 171-174 °C(lit.)
끓는 점: 335.9 · 335.9±17.0 °C(Predicted)
밀도: 1.077 · 1.077±0.06 g/cm3(Predicted)
산도 계수 (pKa): 13.7 · 13.70±0.60(Predicted)
물리적 상태: solid
BRN: 3607899 · 3607899
InChI: 1S/C11H14N2O/c1-8-10(12-11(14)13(8)2)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,12,14)/t8-,10-/m0/s1
InChIKey: BGPAZBKCZVVZGF-WPRPVWTQSA-N
SMILES: C[C@H]1[C@H](NC(=O)N1C)c2ccccc2

안전 및 규제

안전 데이터

wgk: 3
safety_code: 22-24/25
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Employed in the synthesis of optically active mono-, di-, and trihydroxy compounds.

공급사8 곳

T&W GROUP021-61551611 13296011611 · [email protected]

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Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]

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