4-Piperidinecarboxylic acid, 4-phenyl-, 4-methylbenzenesulfonate (1:1)

HCID 2723657CAS 83949-32-0

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

관련 반응

46건

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