tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate

HCID 15296367CAS 173405-78-2

기본 정보

표준 SMILES: CC(C)(C)OC(=O)N1CCC2(CCNCC2)CC1
InChIKey: YLKHACHFJMCIRE-UHFFFAOYSA-N
분자식: C14H26N2O2
평균 분자량: 254.37 g/mol
단동위원소 질량: 254.19942807

이름 및 식별자

우선 이름: tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
IUPAC: tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
영어명: tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
분자식: C14H26N2O2
분자량: 254.37

이름 및 동의어

TERT-BUTYL 3,9-DIAZASPIRO[5.5]UNDECANE-3-CARBOXYLATEDTXSID00938379tert-butyl 3,9-diazaspiro(5.5)undecane-3-carboxylateRefChem:892734DTXCID20998374822-622-9173405-78-23-Boc-3,9-Diazaspiro[5.5]undecane3,9-Diaza-spiro[5.5]undecane-3-carboxylic acid tert-butyl ester3,9-Diazaspiro[5.5]undecane-3-carboxylic acid tert-butyl ester3,9-Diazaspiro[5.5]undecane-3-carboxylic acid, 1,1-dimethylethyl esterMFCD05861627

이름 더 보기

3-Boc-3,9-diazaspiro[5.5]...3-N-Boc-3,9-diazaspiro[5.5]undecane3-Boc-3,9-diazaspiro[5.5]undecane heMioxalateTert-Butyl3,9-Diazaspiro[5.5]Undecane-3-Carboxylatert-Butyl 3,9-diazaspiro5.5undecan-3-carboxylate3,9-Diazaspiro[5,5]undecane-3-carboxylate tert-butyl ester3,9-DIAZASPIRO[5.5]UNDECANE-3-CARBOXYLIC ACID T-BUTYL ESTER

SCHEMBL118654tert-butyl3,9-diazaspiro[5.5]undecane-3-carboxylateorb3144402SCHEMBL4693922SCHEMBL25214544YLKHACHFJMCIRE-UHFFFAOYSA-N3,9-Diazaspiro[5.5]undecane-3TYD-03743

데이터베이스 식별자

CAS: 173405-78-2
PubChem CID: 15296367
DTXSID: DTXSID00938379
EC Number: 822-622-9

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 41.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 293

물리화학적 성질

녹는점: 0 °C · 0°C
끓는 점: 0 °C · 0°C
밀도: 1.05 · 1.05
인화점: 0 °C · 0°C
저장 조건: 2 · 2-8°C(protect from light)
물리적 상태: 고체
산도 계수 (pKa): 11 · 11.00±0.20(Predicted)
색상: 하얀색
InChI: InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-10-6-14(7-11-16)4-8-15-9-5-14/h15H,4-11H2,1-3H3
InChIKey: YLKHACHFJMCIRE-UHFFFAOYSA-N
SMILES: C1C2(CCNCC2)CCN(C(OC(C)(C)C)=O)C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.