HCID2756058

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

C10H20N2O2200.28 g/molCAS 112275-50-0

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IDENTITY

结构与身份

标准 SMILES: CC(C)(C)OC(=O)N1CCCNCC1
InChIKey: WDPWEXWMQDRXAL-UHFFFAOYSA-N
分子式: C10H20N2O2
平均分子量: 200.28 g/mol
单同位素质量: 200.15247789

COMPUTED

结构计算性质

已同步

XLogP: 0.8
极性表面积: 41.6 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 2
重原子: 14
形式电荷: 0
复杂度: 199

GHS

GHS 分类

来源：PubChem

GHS Classification

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.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

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

ALIASES

名称与别名

共 78 条

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-carboxylateF2145-01961-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

REACTIONS