tert-부틸2,7-디아자스피로[3.5]노난-7-카르복실레이트염산염

Tert-butyl 2,7-diazaspiro(3.5)nonane-7-carboxylate hydrochloride

HCID 45489808

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

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 · 4건

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.

공급사100 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海富弘立化工科技有限公司18616083375
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
南京先景医药科技有限公司025-52760886 13073455575 · [email protected]

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7건

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