기본 정보
- CAS
80065-56-1- 표준 SMILES
COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1cccc(C(F)(F)F)c1.O=C(O)CCC(=O)O- InChIKey
VMXINWSRRNXJPQ-UHFFFAOYSA-N- 분자식
- C27H32F3N3O6
- 평균 분자량
- 551.6 g/mol
- 단동위원소 질량
- 551.2243204
이름 및 식별자
- 우선 이름
- 1,4-Pentanediamine, N(sup 4)-(6-methoxy-4-methyl-5-(3-(trifluoromethyl)phenoxy)-8-quinolinyl)-, butanedioate (1:1)
- IUPAC
- butanedioic acid;4-N-[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine
- 영어명
- N-[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pent ane-1,2-diamine
- 분자식
- C23H26F3N3O2
- 분자량
- 0
이름 및 동의어
1,4-Pentanediamine, N(sup 4)-(6-methoxy-4-methyl-5-(3-(trifluoromethyl)phenoxy)-8-quinolinyl)-, butanedioate (1:1)RefChem:1053364WR 225448 succinate80065-56-1SCHEMBL1650306CHEMBL1159739DTXSID101000955butanedioic acid;4-N-[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine8-(4-Amino-1-methylbutylamino)-6-methoxy-4-methyl-5-(3-trifluoromethylphenoxy)quinoline SuccinateButanedioic acid--N~4~-{6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl}pentane-1,4-diamine (1/1)N-[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pent ane-1,2-diamine
데이터베이스 식별자
- CAS
80065-56-1- PubChem CID
- 3061968
- DTXSID
DTXSID101000955- ChEMBL
CHEMBL1159739
물성
구조 계산 물성
- 극성 표면적
- 144 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 643
화학 및 산업
공급사1 곳
HONEST JOY HOLDINGS LIMITED[email protected]
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