1-Boc-헥사히드로-1,4-디아제핀

Tert-butyl 1,4-diazepane-1-carboxylate

HCID 2756058
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기본 정보

CAS
112275-50-0
표준 SMILES
CC(C)(C)OC(=O)N1CCCNCC1
InChIKey
WDPWEXWMQDRXAL-UHFFFAOYSA-N
분자식
C10H20N2O2
평균 분자량
200.28 g/mol
단동위원소 질량
200.15247789

이름 및 식별자

우선 이름
Tert-butyl 1,4-diazepane-1-carboxylate
IUPAC
tert-butyl 1,4-diazepane-1-carboxylate
현지명
1-Boc-헥사히드로-1,4-디아제핀
영어명
1-Boc-hexahydro-1,4-diazepine
분자식
C10H20N2O2
분자량
200.28

이름 및 동의어

tert-butyl 1,4-diazepane-1-carboxylateRefChem:891988628-955-4112275-50-01-Boc-homopiperazine1-Boc-hexahydro-1,4-diazepine1-(tert-butoxycarbonyl)homopiperazineMFCD00276987[1,4]diazepane-1-carboxylic acid tert-butyl esterBOC-HOMOPIPERAZINEt-butyl 1,4-diazepane-1-carboxylateF2145-0196
이름 더 보기
1-Boc-헥사히드로-1,4-디아제핀tert-butyl 1,4-diazocane-1-carboxylateHPBOCBOC-HOPAZBOC-HOPIZBoc-HomoPizBoc-HoPaz*HCl
1-Boc-1,4-diazepanetert-butyl 1,4-diazaperhydroepinecarboxylateN-(t-Butyloxycarbonyl)-homopiperazine hydrochloride1,4-Diazepane, N1-BOC protectedn-boc homopiperazinen-boc-homopiperazine1-BOC-homopiperizine4-Boc-1,4-diazepane

데이터베이스 식별자

CAS
112275-50-0
PubChem CID
2756058
DTXSID
DTXSID30373214
EC Number
628-955-4
Nikkaji
J2.748.183C

물성

구조 계산 물성

XLogP
0.8
극성 표면적
41.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
14

물리화학적 성질

녹는점
143.4 °C · 143.4 °C
끓는 점
95 · 95-110 °C0.5 mm Hg(lit.)
밀도
1.016 g/mL · 1.016 g/mL at 20 °C(lit.)
굴절률
20 · n20/D 1.471(lit.)
인화점
230 °F · >230 °F
저장 조건
Keep in dark place,Sealed in dry,Room Temperature

화학적 성질

Colorless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (15.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (84.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (84.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (82.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 9 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

Hazard Classes and CategoriesSkin Corr. 1B (15.7%)；Skin Irrit. 2 (84.3%)；Eye Irrit. 2 (84.3%)；STOT SE 3 (82.4%)

안전 데이터

wgk
3
ridadr
2735
HS 번호
29339900
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36

화학 및 산업

응용 분야

용도1-Boc-hexahydro-1,4-diazepine is a diazepine derivative used in the preparation of pharmaceutical compounds such as histamine H3-receptor antagonists and dipeptidyl peptidase IV (DPP-IV) inhibitors.

일반 설명1-Boc-hexahydro-1,4-diazepine is an N-boc protected homopiperazine. Its enthalpy of vaporization at boiling point (558.15K) is 49.498kjoule/mol.

상·하류 제품 정보

공급사100 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

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