3-Boc-aMino-3-옥세탄카르복실산

3-(Boc-amino)oxetane-3-carboxylic acid

HCID 56592969

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1159736-25-0
표준 SMILES: CC(C)(C)OC(=O)NC1(C(=O)O)COC1
InChIKey: IIINBAWOESLQTR-UHFFFAOYSA-N
분자식: C9H15NO5
평균 분자량: 217.22 g/mol
단동위원소 질량: 217.09502258

이름 및 식별자

우선 이름: 3-(Boc-amino)oxetane-3-carboxylic acid
IUPAC: 3-[(2-methylpropan-2-yl)oxycarbonylamino]oxetane-3-carboxylic acid
현지명: 3-Boc-aMino-3-옥세탄카르복실산
영어명: 3-Boc-aMino-3-oxetanecarboxylic acid
분자식: C9H15NO5
분자량: 217.22

이름 및 동의어

3-(BOC-AMINO)OXETANE-3-CARBOXYLIC ACIDRefChem:494339817-785-81159736-25-03-((TERT-BUTOXYCARBONYL)AMINO)OXETANE-3-CARBOXYLIC ACID3-{[(tert-butoxy)carbonyl]amino}oxetane-3-carboxylic acidMFCD172159053-Boc-amino-3-oxetanecarboxylic acid3-[(2-methylpropan-2-yl)oxycarbonylamino]oxetane-3-carboxylic acid3-(BOC-AMINO)-3-OXETANECARBOXYLIC ACID3-Oxetanecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-3-(tert-butoxycarbonylamino)oxetane-3-carboxylic acid

이름 더 보기

3-Boc-aMino-3-옥세탄카르복실산3-(Boc-aMino)-3-oxetaneca...3-Aminooxetane-3-carboxylicacid,N-BOCprotected3-[[(tert-Butoxy)carbonyl]amino]-3-oxetanecarboxylic acid3-[[(1,1-dimethylethoxy)carbonyl]amino]-3-Oxetanecarboxylic acid3-((tert-Butoxycarbonyl)amino)oxetane-3-carboxylic acid - [B6662]

3-[(tert-Butoxycarbonyl)amino]oxetane-3-carboxylic acid3-((tert-Butoxycarbonyl)amino)oxetane-3-carboxylicacidSCHEMBL2392035DTXSID30717775IIINBAWOESLQTR-UHFFFAOYSA-NAKOS016015857PB27139AS-38440

데이터베이스 식별자

CAS: 1159736-25-0
PubChem CID: 56592969
DTXSID: DTXSID30717775
EC Number: 817-785-8

물성

구조 계산 물성

XLogP: 0
극성 표면적: 84.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 15
형식 전하: 0
복잡도: 277

물리화학적 성질

끓는 점: 382.4 · 382.4±42.0 °C(Predicted)
밀도: 1.26 · 1.26
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 3.14 · 3.14±0.20(Predicted)
물리적 상태: 고체
색상: 하얀색

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.