1-(TERT-부톡시카르보닐)-4-페닐피페리딘-3-카르복실산

1-(Tert-butoxycarbonyl)-4-phenylpiperidine-3-carboxylic acid

HCID 22116100

기본 정보

CAS
221141-79-3
표준 SMILES
CC(C)(C)OC(=O)N1CCC(c2ccccc2)C(C(=O)O)C1
InChIKey
UHRXHCZPUWORFZ-UHFFFAOYSA-N
분자식
C17H23NO4
평균 분자량
305.4 g/mol
단동위원소 질량
305.16270822

이름 및 식별자

우선 이름
1-(Tert-butoxycarbonyl)-4-phenylpiperidine-3-carboxylic acid
IUPAC
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-3-carboxylic acid
현지명
1-(TERT-부톡시카르보닐)-4-페닐피페리딘-3-카르복실산
영어명
1-(TERT-BUTOXYCARBONYL)-4-PHENYLPIPERIDINE-3-CARBOXYLIC ACID
분자식
C17H23NO4
분자량
305.37

이름 및 동의어

221141-79-31-(TERT-BUTOXYCARBONYL)-4-PHENYLPIPERIDINE-3-CARBOXYLIC ACID1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-3-carboxylic acid1-[(tert-butoxy)carbonyl]-4-phenylpiperidine-3-carboxylic acidMFCD02179137SCHEMBL953505(3R,4S)-1-[(tert-butoxy)carbonyl]-4-phenylpiperidine-3-carboxylic acidRel-(3S,4S)-1-(tert-Butoxycarbonyl)-4-phenylpiperidine-3-carboxylic acidDTXSID80622547UHRXHCZPUWORFZ-UHFFFAOYSA-NAKOS015969478DA-08021
이름 더 보기
1-(TERT-부톡시카르보닐)-4-페닐피페리딘-3-카르복실산N-BOC-4-PHENYL-NIPECOTIC ACIDTrans-N-BOC-4-Phenylnipecotic acid(3S,4S)-1-(tert-butoxycarbonyl)-4-phenylpiperidine-3-carboxylic acid1,3-Piperidinedicarboxylic acid, 4-phenyl-, 1-(1,1-dimethylethyl) ester
WS-01723E74211Boc-cis-DL-4-phenylpiperidine-3-carboxylic acidN-Tertbutoxycarbonyl-4-phenyl-3-(carboxy)-piperidine1-tert-butoxycarbonyl-4-phenyl-piperidine-3-carboxylic acid1-(TERT-BUTOXYCARBONYL)-4-PHENYLPIPERIDINE-3-CARBOXYLICACID

데이터베이스 식별자

CAS
221141-79-3
PubChem CID
22116100
DTXSID
DTXSID80622547

물성

구조 계산 물성

XLogP
2.5
극성 표면적
66.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
4
무거운 원자 수
22

물리화학적 성질

끓는 점
454.873 · 454.873±45.00 °C(Press: 760.00 Torr)(predicted)
밀도
1.169 · 1.169±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
산도 계수 (pKa)
4.338 · 4.338±0.40(predicted)

화학 및 산업

공급사7 곳

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