CAS 1023595-19-8 tert-Butyl 2,9-diazaspiro(5.5)undecane-9-carboxylate (HCID 46912008)

기본 정보

CAS: 1023595-19-8
표준 SMILES: CC(C)(C)OC(=O)N1CCC2(CCCNC2)CC1
InChIKey: QDWTYWWOUAIWGI-UHFFFAOYSA-N
분자식: C14H26N2O2
평균 분자량: 254.37 g/mol
단동위원소 질량: 254.19942807

이름 및 식별자

우선 이름: tert-Butyl 2,9-diazaspiro(5.5)undecane-9-carboxylate
IUPAC: tert-butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate
영어명: tert-Butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate
분자식: C14H26N2O2
분자량: 254.37

이름 및 동의어

1023595-19-8TERT-BUTYL 2,9-DIAZASPIRO[5.5]UNDECANE-9-CARBOXYLATEDTXSID40677311tert-Butyl 2,9-diazaspiro(5.5)undecane-9-carboxylateRefChem:383144DTXCID40628060862-606-99-Boc-2,9-diazaspiro[5.5]undecane2,9-Diazaspiro[5.5]undecane-9-carboxylic acid tert-butyl esterMFCD107001172,9-Diazaspiro[5.5]undecane-9-carboxylic acid, 1,1-dimethylethyl esterTERT-BUTYL 2,9-DIAZASPIRO [5.5]UNDECANE-9-CARBOXYLATE

이름 더 보기

tert Butyl 22,9-Diazaspiro[5.5]unde9-diazaspiro[5.5]undecane-2-carboxylatetert-Butyl 2,9-diazaspiro[5.5]undecan-9-carboxylate1-tert-butyl-2,9-diazaspiro[5.5]undecane-2-carboxylatetert-Butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate 95+%1,1-Dimethylethyl 2,9-diazaspiro[5.5]undecane-9-carboxylate2,9-Diazaspiro[5.5]undecan-9-carboxylic acid tert-butyl ester

2,9-Diazaspiro[5.5]undecaSCHEMBL485160QDWTYWWOUAIWGI-UHFFFAOYSA-NCS-D0621YQB59519AKOS005259435GS-3660SB20125

데이터베이스 식별자

CAS: 1023595-19-8
PubChem CID: 46912008
DTXSID: DTXSID40677311
EC Number: 862-606-9

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: 301

물리화학적 성질

끓는 점: 354.1 · 354.1±35.0 °C(Predicted)
밀도: 1.05 · 1.05
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 11.22 · 11.22±0.20(Predicted)
InChI: InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-9-6-14(7-10-16)5-4-8-15-11-14/h15H,4-11H2,1-3H3
InChIKey: QDWTYWWOUAIWGI-UHFFFAOYSA-N
SMILES: C1C2(CCN(C(OC(C)(C)C)=O)CC2)CCCN1

화학적 성질

white solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (50%): 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.