1-N-CBZ-PIPERIDIN-4-YLOXY)아세트산

2-((1-((Benzyloxy)carbonyl)piperidin-4-YL)oxy)acetic acid

HCID 18919494

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 162504-85-0
표준 SMILES: O=C(O)COC1CCN(C(=O)OCc2ccccc2)CC1
InChIKey: WMFVDLNUEFUSES-UHFFFAOYSA-N
분자식: C15H19NO5
평균 분자량: 293.31 g/mol
단동위원소 질량: 293.12632271

이름 및 식별자

우선 이름: 2-((1-((Benzyloxy)carbonyl)piperidin-4-YL)oxy)acetic acid
IUPAC: 2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyacetic acid
현지명: 1-N-CBZ-PIPERIDIN-4-YLOXY)아세트산
영어명: 1-N-Cbz-piperidin-4-yloxy)acetic acid
분자식: C15H19NO5
분자량: 293.32

이름 및 동의어

162504-85-02-((1-((BENZYLOXY)CARBONYL)PIPERIDIN-4-YL)OXY)ACETIC ACID2-(1-cbz-piperidin-4-yloxy)-acetic acid4-carboxymethoxy-piperidine-1-carboxylic acid benzyl ester1-N-Cbz-piperidin-4-yloxy)acetic acidMFCD021789892-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyacetic acid(1-Cbz-4-piperidinyloxy)acetic acid2-((1-((Benzyloxy)carbonyl)piperidin-4-yl)oxy)aceticacid2-({1-[(benzyloxy)carbonyl]piperidin-4-yl}oxy)acetic acid1-PIPERIDINECARBOXYLIC ACID, 4-(CARBOXYMETHOXY)-, 1-(PHENYLMETHYL) ESTER({1-[(Benzyloxy)carbonyl]piperidin-4-yl}oxy)acetic acid

이름 더 보기

1-N-CBZ-PIPERIDIN-4-YLOXY)아세트산2-[(1-phenylmethoxycarbonyl-4-piperidinyl)oxy]acetic acid

4-Carboxymethoxypiperidine-1-carboxylic acid benzyl ester[N-benzyloxycarbonyl-4-piperidinyloxy]acetic acidSCHEMBL77520DTXSID20596475n-cbz-4-carboxymethoxy-piperidineWMFVDLNUEFUSES-UHFFFAOYSA-NAKOS013184207AB10971

데이터베이스 식별자

CAS: 162504-85-0
PubChem CID: 18919494
DTXSID: DTXSID20596475
EC Number: 675-709-7

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 76.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 6
무거운 원자 수: 21
형식 전하: 0
복잡도: 346

물리화학적 성질

끓는 점: 493.8 · 493.8±45.0 °C(Predicted)
밀도: 1.27 · 1.27±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 3.42 · 3.42±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.