(2-PIPERIDIN-4-YL-ETHYL)-카르밤산TERT-부틸에스테르

4-(2-Aminoethyl)piperidine, 4-BOC protected

HCID 1501849CAS 165528-81-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)NCCC1CCNCC1
InChIKey: RQRMFFGCUUGYPC-UHFFFAOYSA-N
분자식: C12H24N2O2
평균 분자량: 228.33 g/mol
단동위원소 질량: 228.18377801

이름 및 식별자

우선 이름: 4-(2-Aminoethyl)piperidine, 4-BOC protected
IUPAC: tert-butyl N-(2-piperidin-4-ylethyl)carbamate
현지명: (2-PIPERIDIN-4-YL-ETHYL)-카르밤산TERT-부틸에스테르
영어명: (2-PIPERIDIN-4-YL-ETHYL)-CARBAMIC ACID TERT-BUTYL ESTER
분자식: C12H24N2O2
분자량: 228.33

이름 및 동의어

4-(2-Aminoethyl)piperidine, 4-BOC protectedRefChem:512197688-374-7165528-81-44-(2-BOC-AMINOETHYL)PIPERIDINE4-[2-(Boc-amino)ethyl]piperidinetert-butyl (2-(piperidin-4-yl)ethyl)carbamatetert-butyl N-[2-(piperidin-4-yl)ethyl]carbamate(2-Piperidin-4-yl-ethyl)-carbamic acid tert-butyl estertert-butyl 2-(piperidin-4-yl)ethylcarbamateCarbamic acid, N-[2-(4-piperidinyl)ethyl]-, 1,1-dimethylethyl esterMFCD01318373

이름 더 보기

(2-PIPERIDIN-4-YL-ETHYL)-카르밤산TERT-부틸에스테르4-(N-BOC-2-AMINOETHYL)PIPERIDINE4-(2-Boc-aminoethyL4-(BOC-AMINOETHYL)PIPERIDINE4-(2-BOC-AMINOETHYL) PIPERIDINE4-(2-BOC-AMINOETHYL)-1-PIPERIDINE4-(2-Aminothyl)piperidine,N2-BOC protected4-(2-Aminoethyl)piperidine, N2-BOC protected

tert-butyl N-(2-piperidin-4-ylethyl)carbamateCarbamic acid, [2-(4-piperidinyl)ethyl]-, 1,1-dimethylethyl estertert-Butyl [2-(piperidin-4-yl)ethyl]carbamateTert-butyl N-[2-(4-piperidyl)ethyl]carbamatetert-butyl (2-piperidin-4-ylethyl)carbamateSCHEMBL346052orb3175408SCHEMBL4425829

데이터베이스 식별자

CAS: 165528-81-4
PubChem CID: 1501849
DTXSID: DTXSID10363537
ChEMBL: CHEMBL4525509
EC Number: 688-374-7
Nikkaji: J2.348.862K

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 50.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 16
형식 전하: 0
복잡도: 218

물리화학적 성질

끓는 점: 337.3 · 337.3±15.0 °C(Predicted)
밀도: 0.971 · 0.971±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 12.86 · 12.86±0.46(Predicted)
물리적 상태: 액체
색상: 무색~연황색
InChI: InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-9-6-10-4-7-13-8-5-10/h10,13H,4-9H2,1-3H3,(H,14,15)
InChIKey: RQRMFFGCUUGYPC-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)NCCC1CCNCC1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.