기본 정보
- 표준 SMILES
Cc1ccc(S(=O)(=O)O)cc1.O=C(O)C1(c2ccccc2)CCNCC1- InChIKey
NQLZTDKDXBKUGY-UHFFFAOYSA-N- 분자식
- C19H23NO5S
- 평균 분자량
- 377.5 g/mol
- 단동위원소 질량
- 377.12969401
이름 및 식별자
- 우선 이름
- 4-Piperidinecarboxylic acid, 4-phenyl-, 4-methylbenzenesulfonate (1:1)
- IUPAC
- 4-methylbenzenesulfonic acid;4-phenylpiperidine-4-carboxylic acid
이름 및 동의어
4-Piperidinecarboxylic acid, 4-phenyl-, 4-methylbenzenesulfonate (1:1)RefChem:5265214-methylbenzene-1-sulfonic acid; 4-phenylpiperidine-4-carboxylic acid4-phenylpiperidine-4-carboxylic acid compound with 4-methylbenzenesulfonic acid (1:1)4-methylbenzenesulfonic acid;4-phenylpiperidine-4-carboxylic acid4-PHENYL-4-PIPERIDINECARBOXYLIC ACID 4-METHYLBENZENESULFONATEMFCD000447094-phenyl-4-piperidinecarboxylic acid p-methylbenzenesulfonate4-Phenylpiperidine-4-carboxylic acid p-methylbenzenesulfonate4-Piperidinecarboxylic acid, 4-phenyl-, 4-methylbenzenesulfonate4-Phenyl-4-piperidinecarboxylic Acid 4-Methylbenzenesulfonate; 4-Carboxy-4-phenylpiperidine p-Toluenesulfonate; 4-Phenyl-4-piperidinecarboxylic Acid p-Toluenesulfonate; 4-Phenylpiperidine-4-carboxylic Acid p-Toluenesulfonic Acid Salt; 4-Phenylpiperidine-4-carboxylic Acid TosylateRUB5D9T6QC
이름 더 보기
SCHEMBL378736orb3029273PDK0372NQLZTDKDXBKUGY-UHFFFAOYSA-NDTXSID701351758IDA94932SBB027298AKOS008168961
데이터베이스 식별자
- CAS
83949-32-0- PubChem CID
- 2723657
- DTXSID
DTXSID701351758- UNII
- RUB5D9T6QC
물성
구조 계산 물성
- 극성 표면적
- 112 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 434
관련 반응
46건
연결된 노트
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