4-(2-옥소에틸)피페리딘-1-카르복실산,tert-부틸에스테르

tert-Butyl 4-(2-oxoethyl)piperidine-1-carboxylate

HCID 10353694

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 142374-19-4
표준 SMILES: CC(C)(C)OC(=O)N1CCC(CC=O)CC1
InChIKey: PSRHRFNKESVOEL-UHFFFAOYSA-N
분자식: C12H21NO3
평균 분자량: 227.3 g/mol
단동위원소 질량: 227.15214353

이름 및 식별자

우선 이름: tert-Butyl 4-(2-oxoethyl)piperidine-1-carboxylate
IUPAC: tert-butyl 4-(2-oxoethyl)piperidine-1-carboxylate
현지명: 4-(2-옥소에틸)피페리딘-1-카르복실산,tert-부틸에스테르
영어명: N-Boc-4-piperidineacetaldehyde
분자식: C12H21NO3
분자량: 227.3

이름 및 동의어

142374-19-4Tert-butyl 4-(2-oxoethyl)piperidine-1-carboxylateDTXSID80438584RefChem:383479DTXCID80389406626-367-2N-Boc-4-piperidineacetaldehydeMFCD034252582-(n-boc-4-piperidinyl)acetaldehyde4-(2-oxoethyl)piperidine-1-carboxylic acid,tert-butyl ester1-PIPERIDINECARBOXYLIC ACID, 4-(2-OXOETHYL)-, 1,1-DIMETHYLETHYL ESTER4-(2-Oxoethyl)piperidine-1-carboxylic Acid tert-Butyl Ester

이름 더 보기

4-(2-옥소에틸)피페리딘-1-카르복실산,tert-부틸에스테르tert-Butyl 4-(2-oxoethyl)N,N,3,10-tetramethylanilineBoc-4-piperidineacetaldehyde1-Boc-4-(2-oxo-ethyl)piperidine1-PIPERIDINE CARBOXYLIC ACID, 4-(2N-Boc-4-piperidineacetaldehyde 97%

N-BOC-PIPERIDINYL-4-ACETALDEHYDEZ10657260981,1-dimethylethyl 4-(2-oxoethyl)-1-piperidinecarboxylate4-(2-Oxo-ethyl)-piperidine-1-carboxylic acid tert-butyl estertert-Butyl 4-(formylmethyl)piperidine-1-carboxylateFT-06493561-(tert-Butoxycarbonyl)piperidine-4-acetaldehydetert-Butyl4-(2-oxoethyl)piperidine-1-carboxylate

데이터베이스 식별자

CAS: 142374-19-4
PubChem CID: 10353694
DTXSID: DTXSID80438584
EC Number: 626-367-2
Nikkaji: J2.669.882K

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 46.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 249

물리화학적 성질

녹는점: 38 · 38-42 °C
끓는 점: 318.1 · 318.1±15.0 °C(Predicted)
밀도: 1.035 · 1.035±0.06 g/cm3(Predicted)
인화점: 110 ℃ · >110℃
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
물리적 상태: solid
산도 계수 (pKa): -1.62 · -1.62±0.40(Predicted)
주요 응용: 펩타이드 합성
InChI: InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-7-4-10(5-8-13)6-9-14/h9-10H,4-8H2,1-3H3
InChIKey: PSRHRFNKESVOEL-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC(CC=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 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.