tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate

HCID 53302318

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 930785-40-3
표준 SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)CNCCO2
InChIKey: FRROFBJYHIEDPS-UHFFFAOYSA-N
분자식: C13H24N2O3
평균 분자량: 256.34 g/mol
단동위원소 질량: 256.17869263

이름 및 식별자

우선 이름: tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
IUPAC: tert-butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
영어명: tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
분자식: C13H24N2O3
분자량: 256.34

이름 및 동의어

tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylateDTXSID20693372RefChem:892106DTXCID60644121930785-40-39-Boc-1-oxa-4,9-diazaspiro[5.5]undecaneMFCD11227065SCHEMBL996189tert-Butyl 1-oxa-4,9-diazaspiro-[5.5]undecane-9-carboxylate1-OXA-4,9-DIAZASPIRO[5.5]UNDECANE-9-CARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTERTERT-BUTYL1-OXALBB-027710

이름 더 보기

EOS-622381-Oxa-9-Boc-4,9-diazaspiro[5.5]undecane1-Oxa-4,9-diazaspiro[5.5]undecane,N9-BOCprotectedtert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecan-9-carboxylatetert-butyl1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate 1-1,1-Dimethylethyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylatetert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate - [B13035]

TERT-BUTYL1-OXA-4,9-DIAZASPIRO[5.5]UNDECANE-9-CARBOXYLATE1-oxa-4,9-diaza-spiro[5.5]undecane-9-carboxylic acid tert-butyl esterAKOS015900842CS-W005674PB22496SDCCGSBI-0663179.P001AC-31611DS-12165

데이터베이스 식별자

CAS: 930785-40-3
PubChem CID: 53302318
DTXSID: DTXSID20693372
EC Number: 801-986-2

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 50.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 304

물리화학적 성질

끓는 점: 364.2 · 364.2±42.0 °C(Predicted)
밀도: 1.11 · 1.11
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 8.82 · 8.82±0.20(Predicted)
물리적 상태: 결정성 분말
색상: 하얀색
InChI: InChI=1S/C13H24N2O3/c1-12(2,3)18-11(16)15-7-4-13(5-8-15)10-14-6-9-17-13/h14H,4-10H2,1-3H3
InChIKey: FRROFBJYHIEDPS-UHFFFAOYSA-N
SMILES: O1C2(CCN(C(OC(C)(C)C)=O)CC2)CNCC1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.；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.