CAS 167484-18-6 Benzyl 1,2-dihydrospiro[indole-3,4'-piperidine]-1'-carboxylate (HCID 10914256)

기본 정보

CAS: 167484-18-6
표준 SMILES: O=C(OCc1ccccc1)N1CCC2(CC1)CNc1ccccc12
InChIKey: XJUPGFXGJQIYQG-UHFFFAOYSA-N
분자식: C20H22N2O2
평균 분자량: 322.4 g/mol
단동위원소 질량: 322.16812794

이름 및 식별자

우선 이름: Benzyl 1,2-dihydrospiro[indole-3,4'-piperidine]-1'-carboxylate
IUPAC: benzyl spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
현지명: 1'-(벤질록시카르보닐)스피로(인돌린-3,4'-피페리딘)
영어명: 1'-(BENZYLOXYCARBONYL)SPIRO(INDOLINE-3,4'-PIPERIDINE)
분자식: C20H22N2O2
분자량: 322.4

이름 및 동의어

benzyl 1,2-dihydrospiro[indole-3,4'-piperidine]-1'-carboxylatebenzyl 1,2-dihydrospiro(indole-3,4'-piperidine)-1'-carboxylateRefChem:566555848-470-3167484-18-6Benzyl spiro[indoline-3,4'-piperidine]-1'-carboxylate1'-(BENZYLOXYCARBONYL)SPIRO(INDOLINE-3,4'-PIPERIDINE)1'-CBZ-SPIRO[INDOLINE-3,4'-PIPERIDINE]MFCD06738866Benzyl Spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylateSPIRO[3H-INDOLE-3,4'-PIPERIDINE]-1'-CARBOXYLIC ACID, 1,2-DIHYDRO-, PHENYLMETHYL ESTER1/'-(BENZYLOXYCARBONYL)SPIRO(INDOLINE-3,4/'-PIPERIDINE)

이름 더 보기

1'-(벤질록시카르보닐)스피로(인돌린-3,4'-피페리딘)1'-Cbz-1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]1'-N-Cbz-1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]Benzyl spiro[indoline-3,4'-piperidine]-1'-carboxylate - B10565Spiro[indoline-3,4'-piperidine]-1'-carboxylic Acid Benzyl Ester6-Aza-spiro[2.5]octane-1,6-dicarboxylic acid 6-tert-butyl ester

XJUPGFXGJQIYQG-UHFFFAOYSA-Nbenzylspiro[indoline-3,4'-piperidine]-1'-carboxylateSCHEMBL1196005SCHEMBL1196006DTXSID201151979AKOS015899319PB26234AC-30834

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 41.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 24
형식 전하: 0
복잡도: 439

물리화학적 성질

녹는점: 118 · 118-120 °C
끓는 점: 505.2 · 505.2±50.0 °C(Predicted)
밀도: 1.23 · 1.23±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 5.3 · 5.30±0.20(Predicted)
색상: White to Yellow to Green

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.