CAS 21937-03-1 4-Morpholinepropanamine, N-4-pyridinyl-N-(3-(trifluoromethyl)phenyl)-beta,2,6-trimethyl-, mono(2-hydroxybenzoate) (HCID 210933)

기본 정보

CAS: 21937-03-1
표준 SMILES: CC(CN1CC(C)OC(C)C1)CN(c1ccncc1)c1cccc(C(F)(F)F)c1.O=C(O)c1ccccc1O
InChIKey: OLZKQBUPRAKZAT-UHFFFAOYSA-N
분자식: C29H34F3N3O4
평균 분자량: 545.6 g/mol
단동위원소 질량: 545.25014106

이름 및 식별자

우선 이름: 4-Morpholinepropanamine, N-4-pyridinyl-N-(3-(trifluoromethyl)phenyl)-beta,2,6-trimethyl-, mono(2-hydroxybenzoate)
IUPAC: N-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-N-[3-(trifluoromethyl)phenyl]pyridin-4-amine;2-hydroxybenzoic acid

이름 및 동의어

21937-03-14-Morpholinepropanamine, N-4-pyridinyl-N-(3-(trifluoromethyl)phenyl)-beta,2,6-trimethyl-, mono(2-hydroxybenzoate)RefChem:294927DTXSID009445312-Hydroxybenzoic acid--N-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-N-[3-(trifluoromethyl)phenyl]pyridin-4-amine (1/1)

데이터베이스 식별자

CAS: 21937-03-1
PubChem CID: 210933
DTXSID: DTXSID00944531

물성

구조 계산 물성

극성 표면적: 86.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 10
회전 가능 결합 수: 7
무거운 원자 수: 39
형식 전하: 0
복잡도: 621

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