tert-Butyl 2,8-diazaspiro[4.5]decane-2-carboxylate

HCID 34178604CAS 336191-17-4

기본 정보

표준 SMILES: CC(C)(C)OC(=O)N1CCC2(CCNCC2)C1
InChIKey: NFNCPNAVNRBDOU-UHFFFAOYSA-N
분자식: C13H24N2O2
평균 분자량: 240.34 g/mol
단동위원소 질량: 240.18377801

이름 및 식별자

우선 이름: tert-Butyl 2,8-diazaspiro[4.5]decane-2-carboxylate
IUPAC: tert-butyl 2,8-diazaspiro[4.5]decane-2-carboxylate
영어명: tert-Butyl 2,8-diazaspiro[4.5]decane-2-carboxylate
분자식: C13H24N2O2
분자량: 240.34

이름 및 동의어

336191-17-4tert-butyl 2,8-diazaspiro[4.5]decane-2-carboxylateDTXSID00653030tert-Butyl 2,8-diazaspiro(4.5)decane-2-carboxylateRefChem:383142DTXCID30603780817-976-62,8-Diaza-spiro[4.5]decane-2-carboxylic acid tert-butyl ester2-Boc-2,8-diazaspiro[4.5]decane2-Boc-2,8-diaza-spiro[4.5]decaneMFCD067390562,8-Diazaspiro[4.5]decane-2-carboxylic acid tert-butyl ester

이름 더 보기

2-Boc-2,8-diaza-spiro[4.5...2-N-Boc-2,8-diaza-spiro[4.5]decane2,8-Diazaspiro[4.5]decane, N2-BOC protected2-Boc-2,8-diazaspiro[4.5]decane hemioxalatetert-Butyl 2,8-diazaspiro4.5decan-2-carboxylateert-Butyl2,8-diazaspiro[4.5]decane-2-carboxylatetert-Butyl 3,8-diazaspiro[4.5]decane-3-carboxylatetert-Butyl2,7-diazaspiro[4,5]decane-2-carboxylate,98%

2,8-DIAZASPIRO[4.5]DECANE-2-CARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER2,8-DIAZA-SPIRO[4.5]DECANE-2-CARBOXYLIC ACID TERT-BUTYL ESTER;TERT-BUTYL 2,8-DIAZASPIRO[4.5]DECANE-2-CARBOXYLATE;2-Boc-2,8-Diaza-spiro[4.5]decane;tert-Butyl2,7-diazaspiro[4,5]decane-2-carboxylate,98%SCHEMBL484311orb3031657NFNCPNAVNRBDOU-UHFFFAOYSA-NFL0238SBB099302AKOS005069264

데이터베이스 식별자

CAS: 336191-17-4
PubChem CID: 34178604
DTXSID: DTXSID00653030
EC Number: 817-976-6

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 41.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 290

물리화학적 성질

끓는 점: 337 · 337.0±35.0 °C(Predicted)
밀도: 1.07 · 1.07±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 10.97 · 10.97±0.20(Predicted)
물리적 상태: 고체
색상: 미색에서 회색까지
InChI: InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-9-6-13(10-15)4-7-14-8-5-13/h14H,4-10H2,1-3H3
InChIKey: NFNCPNAVNRBDOU-UHFFFAOYSA-N
SMILES: C1C2(CCNCC2)CCN1C(OC(C)(C)C)=O

화학적 성질

Wihte powder

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