데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
1429755-57-6- 표준 SMILES
CN(C)C=Nc1ccc(NC(=S)NC(C)(C)CO)cc1C#N- InChIKey
VNKYLVIITITJCY-UHFFFAOYSA-N- 분자식
- C15H21N5OS
- 평균 분자량
- 319.4 g/mol
이름 및 식별자
- 우선 이름
- (E)-N'-(2-cyano-4-(3-(1-hydroxy-2-methylpropan-2-yl)thioureido)phenyl)-N,N-dimethylformimidamide
- IUPAC
- 1-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]-3-(1-hydroxy-2-methylpropan-2-yl)thiourea
- 영어명
- (E)-N'-(2-cyano-4-(3-(1-hydroxy-2-methylpropan-2-yl)thioureido)phenyl)-N,N-dimethylformimidamide
- 분자식
- C15H21N5OS
- 분자량
- 319.43
이름 및 동의어
(E)-N'-(2-cyano-4-(3-(1-hydroxy-2-methylpropan-2-yl)thioureido)phenyl)-N,N-dimethylformimidamide1429755-57-6RefChem:406378814-560-6Tucatinib Impurity 41-{3-cyano-4-[(E)-[(dimethylamino)methylidene]amino]phenyl}-3-(1-hydroxy-2-methylpropan-2-yl)thioureaN-[3-cyano-4-[[(dimethylamino)methylene]amino]phenyl]-N'-(2-hydroxy-1,1-dimethylethyl)Thiourea937263-23-5starbld0008439ZVW47H5XM6SCHEMBL1192514SCHEMBL1192515
이름 더 보기
(E)-N'-(2-cyano-4-(3-(1-hydroxy-2-methylpropan-2-yl)thioureido)phenyl)-N,N-N'-(2-cyano-4-(3-(1-hydroxy-2-methylpropan-2-yl)thioureido)phenyl)-N,N-dimethylformimidamideN-[3-cyano-4-[[(1E)-(dimethylamino)methylene]amino]phenyl]-N'-(2-hydroxy-1,1-dimethylethyl)thioureaMethanimidamide, N'-[2-cyano-4-[[[(2-hydroxy-1,1-dimethylethyl)amino]thioxomethyl]amino]phenyl]-N,N-dimethyl-, (1E)-
SCHEMBL20838797SCHEMBL29677017WLZ3179VNKYLVIITITJCY-LICLKQGHSA-NVNKYLVIITITJCY-UHFFFAOYSA-NDB-387489(1E)-N'-[2-Cyano-4-[[[(2-hydroxy-1,1-dimethylethyl)amino]thioxomethyl]amino]phenyl]-N,N-dimethylmethanimidamide(E)-N'-(2-cyano -4-(3-(1-hydroxy-2-methylpropan-2-yl)thioureido)phenyl)-N,N-dimethylformimidamide
물성
구조 계산 물성보충 중
- XLogP
- 0.8
- 극성 표면적
- 116 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 454
물리화학적 성질
- 끓는 점
- 489.2 · 489.2±55.0 °C(Predicted)
- 밀도
- 1.24 at · 1.24 at 20℃
- 증기압
- 0 Pa · 0Pa at 25℃
- 물리적 상태
- Solid:particulate/powder
- 산도 계수 (pKa)
- 11.91 · 11.91±0.70(Predicted)
- LogP
- 0.13 at · 0.13 at 25℃ and pH7
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationStatus: Active Update: 25-06-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29505
Hazard Classes and CategoriesSkin Sens. 1 (100%)
안전 데이터
- 신호 어
- Danger
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315
화학 및 산업
공급사44 곳
济南春和景明医药技术有限公司0531-88566150 15275186862
Hangzhou Collab Medicine Co.,Ltd.+86-15936229464 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Nanjing Fred Technology Co., Ltd+86-25-84696168 +86-15380713688 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
安庆多辉生物科技有限公司19121697802 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
山东君泰药业有限公司15901008306 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
관련 반응
2건
화합물 노트
불러오는 중…