CAS 1357351-98-4 Tert-butyl 1-(aminomethyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate (HCID 117698055)

기본 정보

CAS: 1357351-98-4
표준 SMILES: CC(C)(C)OC(=O)N1CC2(CN)CC1CO2
InChIKey: NROFQLXUAGEBRC-UHFFFAOYSA-N
분자식: C11H20N2O3
평균 분자량: 228.29 g/mol

이름 및 식별자

우선 이름: Tert-butyl 1-(aminomethyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate
IUPAC: tert-butyl 1-(aminomethyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate
영어명: 1-Aminomethyl-2-Oxa-5-Aza-Bicyclo[2.2.1]Heptane-5-Carboxylic Acid Tert-Butyl Ester
분자식: C11H20N2O3
분자량: 228.29

이름 및 동의어

1357351-98-4tert-Butyl 1-(aminomethyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylatetert-butyl 1-(aminomethyl)-2-oxa-5-azabicyclo(2.2.1)heptane-5-carboxylateRefChem:892021836-514-41-Aminomethyl-2-Oxa-5-Aza-Bicyclo[2.2.1]Heptane-5-Carboxylic Acid Tert-Butyl Estertert-butyl 4-(aminomethyl)-5-oxa-2-azabicyclo[2.2.1]heptane-2-carboxylateMFCD22209628SCHEMBL16237709NROFQLXUAGEBRC-UHFFFAOYSA-NHEC35198AKOS027255260

이름 더 보기

1-Aminomethyl-2-Oxa-5-Aza-Bicyclo[2.2.1]Heptane-5-Carboxylic Acid Tert-Butyl Ester(WX120419)2-Oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid, 1-(aminomethyl)-, 1,1-dimethylethyl ester(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane tert-butyl 5-(hydroxymethyl)-2-azabicyclo[2.2.2]octane-2-carboxylate

CS-15708SY124265CS-0036995EN300-268837W14587F6136435-Boc-1-(aminomethyl)-2-oxa-5-azabicyclo[2.2.1]heptanetert-Butyl 4-(aminomethyl)-5-oxa-2-azabicyclo[2 2 1]heptane-2-carboxylate

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 64.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 300

물리화학적 성질

끓는 점: 321 · 321.0±27.0 °C(Predicted)
밀도: 1.176 · 1.176±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 10.13 · 10.13±0.29(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

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

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

신호 어: Danger
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

공급사10 곳

台州南峰药物研究所[email protected] 18616377689 · [email protected]

药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]

江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]

上海氟帝新材料科技有限公司021-31009277 13761216778 · [email protected]

安徽敬同药业股份有限公司13675155016 · [email protected]

화합물 노트

불러오는 중…

Tert-butyl 1-(aminomethyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate