호모피페라진

Hexahydro-1,4-diazepine

HCID 68163CAS 505-66-8
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
C1CNCCNC1
InChIKey
FQUYSHZXSKYCSY-UHFFFAOYSA-N
분자식
C5H12N2
평균 분자량
100.16 g/mol
단동위원소 질량
100.10004839

이름 및 식별자

우선 이름
Hexahydro-1,4-diazepine
IUPAC
1,4-diazepane
현지명
호모피페라진
영어명
Homopiperazine
분자식
C5H12N2
분자량
100.16

이름 및 동의어

Homopiperazine505-66-81,4-Diazacycloheptane1H-1,4-Diazepine, hexahydro-Hexahydro-1,4-diazepineTrimethyleneethylenediaminePerhydro-1,4-diazepinehexahydro-1H-1,4-diazepineBRN 0102711EINECS 208-016-195CL167W8TDTXSID1060130
이름 더 보기
호모피페라진호모피퍼라진HPRZGao PaiqinhoMopiperazateHigh-piperazineHomo-PiperazinesAKOS BBS-000042781,4-Diazepane 97%
5-23-03-00240 (Beilstein Handbook Reference)RefChem:786109DTXCID4040848208-016-1InChI=1/C5H12N2/c1-2-6-4-5-7-3-1/h6-7H,1-5H1,4-Diazepane[1,4]DiazepaneMFCD00006933

데이터베이스 식별자

CAS
505-66-8
PubChem CID
68163
DTXSID
DTXSID1060130
UNII
95CL167W8T
EC Number
208-016-1
Nikkaji
J53.916C

물성

구조 계산 물성

XLogP
-0.5
극성 표면적
24.1 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
7

실험 및 물리화학적 성질

Kovats Retention Index1525

물리화학적 성질

녹는점
38 · 38-40 °C (lit.)
끓는 점
169 °C · 169 °C (lit.)
밀도
0.95 · 0.95
굴절률
1.4378 · 1.4378 (estimate)
인화점
148 °F · 148 °F
저장 조건
Keep in dark place,Inert atmosphere,Room temperature

화학적 성질

white to light yellow crystalline mass

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H311 (95.5%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (66.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P262, P264, P264+P265, P270, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P361+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 157 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information1,4-Diazacycloheptane: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (95.5%)；Skin Corr. 1B (100%)；Eye Dam. 1 (66.9%)

규제 정보

Regulatory Information1,4-Diazacycloheptane: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
HM3850000
ridadr
UN 3259 8/PG 2
HS 번호
29339900
risk_code
21-34

화학 및 산업

용도 및 제조

General Manufacturing Information1H-1,4-Diazepine, hexahydro-: ACTIVE
응용 분야 · 1건

용도Homopiperazine is used to prepare 1,4-bis-(2-thiazolyl)-1,4-diazacycloheptane by reacting with 2-bromo-thiazole. It acts as an intermediate for repaglinide and fasudil hydrochloride. It is also used in the preparation of potent H3 receptor antagonists, which is used for the treatment of neurodegenerative conditions. Further, it is used in vesicant, cosmetic, emulsifier and energetic material. It acts as a corrosion inhibitor for iron. In pharmaceuticals, it is employed as antipyretic and reducing blood sugar, adiposity, calm, antipsychotic and anti-nervous.

상·하류 제품 정보

상류 원료

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
烟台宇晨生物医药有限公司0535-7295056 15692356085 · [email protected]
合肥瑞洛新材料科技有限公司19567218739 · [email protected]

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