CAS 1403257-81-7 5-bromo-3-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-2-methylbenzoic acid (HCID 70872248)

기본 정보

CAS: 1403257-81-7
표준 SMILES: CCN(c1cc(Br)cc(C(=O)O)c1C)C1CCOCC1
InChIKey: IPITXYVHPYUULP-UHFFFAOYSA-N
분자식: C15H20BrNO3
평균 분자량: 342.23 g/mol
단동위원소 질량: 341.06266

이름 및 식별자

우선 이름: 5-bromo-3-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-2-methylbenzoic acid
IUPAC: 5-bromo-3-[ethyl(oxan-4-yl)amino]-2-methylbenzoic acid
영어명: Benzoic acid, 5-broMo-3-[ethyl(tetrahydro-2H-pyran-4-yl)aMino]-2-Methyl-
분자식: C15H20BrNO3
분자량: 342.23

이름 및 동의어

1403257-81-75-bromo-3-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-2-methylbenzoic acid5-bromo-3-[ethyl(oxan-4-yl)amino]-2-methylbenzoic acidBenzoic acid, 5-bromo-3-[ethyl(tetrahydro-2H-pyran-4-yl)amino]-2-methyl-MFCD281678695-Bromo-3-[ethyl(tetrahydro-2H-pyran-4-yl)amino]-2-methylbenzoic acidSCHEMBL13276540SCHEMBL29613562YQF2830IPITXYVHPYUULP-UHFFFAOYSA-NDTXSID201155626CS-M2414

이름 더 보기

AKOS037650400CS-14750SY261497DB-123880A50982F7896915-bromo-3-[ethyl(tetrahydropyran-4-yl)amino]-2-methyl-benzoic acid5-bromo-3-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-2-methylbenzoicacid

데이터베이스 식별자

CAS: 1403257-81-7
PubChem CID: 70872248
DTXSID: DTXSID201155626

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 49.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 20
형식 전하: 0
복잡도: 333

물리화학적 성질

저장 조건: 2 · Storage temp. 2-8°C
InChI: InChI=1S/C15H20BrNO3/c1-3-17(12-4-6-20-7-5-12)14-9-11(16)8-13(10(14)2)15(18)19/h8-9,12H,3-7H2,1-2H3,(H,18,19)
InChIKey: IPITXYVHPYUULP-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC(Br)=CC(N(CC)C2CCOCC2)=C1C

화학 및 산업

공급사30 곳

上海皓竹医药科技有限公司18912729622 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]

화합물 노트

불러오는 중…