6-BOC-3,6-DIAZABICYCLO[3.2.0]헵탄

3,6-Diaza-bicyclo(3.2.0)heptane-6-carboxylic acid tert-butyl ester

HCID 46738181

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 122848-57-1
표준 SMILES: CC(C)(C)OC(=O)N1CC2CNCC21
InChIKey: YPCQQZHIBTVQAB-UHFFFAOYSA-N
분자식: C10H18N2O2
평균 분자량: 198.26 g/mol
단동위원소 질량: 198.13682782

이름 및 식별자

우선 이름: 3,6-Diaza-bicyclo(3.2.0)heptane-6-carboxylic acid tert-butyl ester
IUPAC: tert-butyl 3,6-diazabicyclo[3.2.0]heptane-6-carboxylate
현지명: 6-BOC-3,6-DIAZABICYCLO[3.2.0]헵탄
영어명: 6-Boc-3,6-diazabicyclo[3.2.0]heptane
분자식: C10H18N2O2
분자량: 198.26

이름 및 동의어

3,6-DIAZA-BICYCLO[3.2.0]HEPTANE-6-CARBOXYLIC ACID TERT-BUTYL ESTER3,6-Diaza-bicyclo(3.2.0)heptane-6-carboxylic acid tert-butyl esterRefChem:487469676-386-5122848-57-1tert-butyl 3,6-diazabicyclo[3.2.0]heptane-6-carboxylate6-Boc-3,6-Diazabicyclo[3.2.0]heptaneMFCD099916056-Boc-3,6-diaza-bicyclo[3.2.0]heptane3,6-Diazabicyclo[3.2.0]heptane-6-carboxylic acid, 1,1-dimethylethyl estercis-3,6-Diazabicyclo[3.2.0]heptane-6-carboxylic acid tert-butylester3,6-Diazabicyclo[3.2.0]heptane-6-carboxylic acid tert-butyl ester

이름 더 보기

6-BOC-3,6-DIAZABICYCLO[3.2.0]헵탄tert-butyl 3,6-diazabicyclo[3.2.0]heptane-6-carboxylate - [D6474]

6-boc-3,6-diazabicyclo[tert-butyl3,6-diazabicyclo[tert-butyl 3,6-diazabicyclo[tert-Butyl (1S,5R)-3,6-diazabicyclo-[3.2.0]heptane-6-carboxylateorb3031713SCHEMBL1442940DTXSID00674240YPCQQZHIBTVQAB-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 122848-57-1
PubChem CID: 46738181
DTXSID: DTXSID00674240
EC Number: 676-386-5

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 41.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 247

물리화학적 성질

끓는 점: 276.4 · 276.4±13.0 °C(Predicted)
밀도: 1.104 · 1.104±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 10.65 · 10.65±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (33.3%): 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)

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.