기본 정보
- CAS
1023301-84-9- 표준 SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CNC2.Cl- InChIKey
HVLQURGQQISYSQ-UHFFFAOYSA-N- 분자식
- C12H23ClN2O2
- 평균 분자량
- 262.77 g/mol
- 단동위원소 질량
- 262.14480566
이름 및 식별자
- 우선 이름
- Tert-butyl 2,7-diazaspiro(3.5)nonane-7-carboxylate hydrochloride
- IUPAC
- tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;hydrochloride
- 현지명
- tert-부틸2,7-디아자스피로[3.5]노난-7-카르복실레이트염산염
- 영어명
- tert-Butyl2,7-diazaspiro[3.5]nonane-7-carboxylatehydrochloride
- 분자식
- C12H22ClN2O2-
- 분자량
- 261.76828
이름 및 동의어
tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate hydrochlorideTert-butyl 2,7-diazaspiro(3.5)nonane-7-carboxylate hydrochlorideRefChem:892210806-356-01023301-84-97-Boc-2,7-diaza-spiro[3.5]nonane hydrochlorideMFCD131850862,7-Diazaspiro[3.5]nonane-7-carboxylic acid, 1,1-dimethylethyl ester, hydrochloride (1:1)tert-Butyl2,7-diazaspiro[3.5]nonane-7-carboxylatehydrochloridetert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;hydrochloride7-Boc-2,7-diazaspiro[3.5]nonane HClTERT-BUTYL 2,7-DIAZASPIRO[3.5]NONANE-7-CARBOXYLATE HCL
이름 더 보기
tert-부틸2,7-디아자스피로[3.5]노난-7-카르복실레이트염산염7-Boc-2,7-diaza-spiro3.5none hydrochlorideTert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate hydroctert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate HCl salttert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate hydrochlo...tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate, hydrochloride(1:1)102,7-diazaspiro[3.5]nonane-7-carboxylic acid tert-butyl hydrochloride2,7-Diazaspiro[3.5]nonane-7-carboxylic acid, 1,1-dimethylethyl ester, hydrochlor…2,7-Diazaspiro[3.5]nonane-7-carboxylic acid tert-butyl ester hydrochloride - [D5990]
7-Boc-2,7-diazaspiro[3.5]nonane Hydrochloride2,7-diazaspiro[3.5]nonane-7-carboxylic acid tert-butyl ester hydrochloride2,7-Diazaspiro[32GRW4TT7JLSCHEMBL994266orb3177199DTXSID10670470HVLQURGQQISYSQ-UHFFFAOYSA-N
데이터베이스 식별자
- CAS
1023301-84-9- PubChem CID
- 45489808
- DTXSID
DTXSID10670470- UNII
- 2GRW4TT7JL
- EC Number
- 806-356-0
물성
구조 계산 물성
- 극성 표면적
- 41.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 269
물리화학적 성질
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- InChI
- InChI=1S/C12H22N2O2.ClH/c1-11(2,3)16-10(15)14-6-4-12(5-7-14)8-13-9-12;/h13H,4-9H2,1-3H3;1H
- InChIKey
- HVLQURGQQISYSQ-UHFFFAOYSA-N
- SMILES
- Cl.C(N1CCC2(CNC2)CC1)(=O)OC(C)(C)C
안전 및 규제
GHS 분류
GHS Classification
Danger
H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (97.6%)
안전 데이터
- HS 번호
- 2933998090
화학 및 산업
응용 분야
개요tert-Butyl2,7-diazaspiro[3.5]nonane-7-carboxylatehydrochloride is a drug intermediate for synthesis of various active compounds.
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