N-BOC-4-카르복시메톡시-피페리딘

2-((1-((Tert-butoxy)carbonyl)piperidin-4-yl)oxy)acetic acid

HCID 1502082

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 161948-70-5
표준 SMILES: CC(C)(C)OC(=O)N1CCC(OCC(=O)O)CC1
InChIKey: YHUAHIMRWSVXCN-UHFFFAOYSA-N
분자식: C12H21NO5
평균 분자량: 259.3 g/mol
단동위원소 질량: 259.14197277

이름 및 식별자

우선 이름: 2-((1-((Tert-butoxy)carbonyl)piperidin-4-yl)oxy)acetic acid
IUPAC: 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyacetic acid
현지명: N-BOC-4-카르복시메톡시-피페리딘
영어명: N-Boc-4-carboxymethoxy-piperidine
분자식: C12H21NO5
분자량: 259.3

이름 및 동의어

2-({1-[(tert-butoxy)carbonyl]piperidin-4-yl}oxy)acetic acid2-((1-((Tert-butoxy)carbonyl)piperidin-4-yl)oxy)acetic acidRefChem:447338816-011-6161948-70-5N-Boc-4-carboxymethoxypiperidine(1-Boc-4-piperidinyloxy)acetic acidN-Boc-4-carboxymethoxy-piperidineMFCD021789874-Carboxymethoxy-piperidine-1-carboxylic acid tert-butyl ester2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyacetic acid{[1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}acetic acid

이름 더 보기

N-BOC-4-카르복시메톡시-피페리딘ST5313750ASN 07731208ASINEX-REAG BAS 077312081-Boc-4-Carboxymethoxy-Piperidine2-[(1-Boc-4-piperidyl)oxy]acetic Acid(1-Boc-4-piperidinyloxy)aceticacid,95%(1-Boc-4-piperidinyloxy)acetic acid, 95%(1-Boc-4-piperidinyloxy)acetic acid - [C0836]

1-piperidinecarboxylic acid, 4-(carboxymethoxy)-, 1-(1,1-dimethylethyl) esterF2158-1140SCHEMBL6101842-[(1-tert-butoxycarbonyl-4-piperidyl)oxy]acetic acidorb31756442-(1-(tert-butoxycarbonyl)piperidin-4-yloxy)acetic acid2-((1-(tert-butoxycarbonyl)piperidin-4-yl)oxy)acetic acidDTXSID00363607

데이터베이스 식별자

CAS: 161948-70-5
PubChem CID: 1502082
DTXSID: DTXSID00363607
EC Number: 816-011-6

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 76.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 18
형식 전하: 0
복잡도: 302

물리화학적 성질

녹는점: 105 · 105-107℃
끓는 점: 406.7 · 406.7±35.0 °C(Predicted)
밀도: 1.17 · 1.17±0.1 g/cm3(Predicted)
저장 조건: Store at room temperature
산도 계수 (pKa): 3.42 · 3.42±0.10(Predicted)
InChI: InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-6-4-9(5-7-13)17-8-10(14)15/h9H,4-8H2,1-3H3,(H,14,15)
InChIKey: YHUAHIMRWSVXCN-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC(OCC(O)=O)CC1

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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.