tert-부틸3-엔도-히드록시-8-아자비시클로[3.2.1]옥탄-8-카르복실레이트

tert-Butyl 3-hydroxy-8-azabicyclo(3.2.1)octane-8-carboxylate

HCID 21187725

노트 반응

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기본 정보

CAS: 143557-91-9
표준 SMILES: CC(C)(C)OC(=O)N1C2CCC1CC(O)C2
InChIKey: SEGZJJSZYOEABC-UHFFFAOYSA-N
분자식: C12H21NO3
평균 분자량: 227.3 g/mol
단동위원소 질량: 227.15214353

개요

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이름 및 식별자

우선 이름: tert-Butyl 3-hydroxy-8-azabicyclo(3.2.1)octane-8-carboxylate
IUPAC: tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
현지명: tert-부틸3-엔도-히드록시-8-아자비시클로[3.2.1]옥탄-8-카르복실레이트
영어명: tert-butyl 3-endo-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
분자식: C12H21NO3
분자량: 227.3

이름 및 동의어

tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylateDTXSID10611222tert-Butyl 3-hydroxy-8-azabicyclo(3.2.1)octane-8-carboxylateRefChem:1099530DTXCID30561977478837-18-2143557-91-9N-Boc-Nortropinetert-butyl 3-endo-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylateN-Boc-3-hydroxy-8-azabicyclo[3.2.1]octaneMFCD13568915F2167-1144

이름 더 보기

tert-부틸3-엔도-히드록시-8-아자비시클로[3.2.1]옥탄-8-카르복실레이트tert-butyl (1R,3r,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylateN-Boc-DesmethyltropineN-tert-Butoxycarbonylnortropan-3-olN-Boc-8-Azabicyclo[3.2.1]octan-3-ol8-(tert-Butoxycarbonyl)-3-alpha-nortropanolendo-N-Boc-3-hydroxy-8-azabicyclo[3.2.1]octane(3-endo)-N-Boc-3-hydroxy-8-azabicyclo[3.2.1]octanetert-butyl endo-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate

endo-8-Boc-3-hydroxy-8-azabicyclo[3.2.1]octanetert-butyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate8-azabicyclo[3.2.1]octane-8-carboxylic acid, 3-hydroxy-, 1,1-dimethylethyl ester, (3-exo)-3-hydroxy-8-aza-bicyclo[3.2.1]octane-8-carboxylic acid, tert-butyl esterSCHEMBL219189SCHEMBL14967477SEGZJJSZYOEABC-UHFFFAOYSA-NSMSSF-0533636

데이터베이스 식별자

CAS: 143557-91-9
PubChem CID: 21187725
DTXSID: DTXSID10611222

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 49.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 270

물리화학적 성질

녹는점: 141.5 ℃ · 141.5℃
끓는 점: 328 ℃ · 328℃
밀도: 1.146 · 1.146
인화점: 152 ℃ · 152℃
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 14.79 · 14.79±0.20(Predicted)
InChI: InChI=1/C12H21NO3/c1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8/h8-10,14H,4-7H2,1-3H3/t8-,9,10+/s3
InChIKey: SEGZJJSZYOEABC-RHMQUPMUNA-N
SMILES: C(=O)(OC(C)(C)C)N1[C@H]2CCC1C[C@H](O)C2 |&1:8,13,r|