HCID527635

tert-Butyl methylcarbamate

tert-butyl N-methylcarbamate

C6H13NO2131.17 g/molCAS 16066-84-5

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IDENTITY

结构与身份

标准SMILES: CNC(=O)OC(C)(C)C
InChIKey: JHLVEBNWCCKSGY-UHFFFAOYSA-N
分子式: C6H13NO2
平均分子量: 131.17 g/mol
单同位素质量: 131.09462866

COMPUTED

结构计算性质

已同步

XLogP: 0.9
极性表面积: 38.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 2
重原子: 9
形式电荷: 0
复杂度: 104

PROPERTIES

实验与物化性质

来源：PubChem

Kovats Retention Index

935

1392

GHS

GHS分类

来源：PubChem

GHS Classification

Danger

H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 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

Acute Tox. 3 (25%)；Acute Tox. 4 (50%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (75%)；Eye Irrit. 2A (75%)；Acute Tox. 4 (50%)；STOT SE 3 (75%)

ALIASES

名称与别名

共 49 条

tert-Butyl methylcarbamate16066-84-5carbamic acid, methyl-, 1,1-dimethylethyl esterCarbamic acid, N-methyl, t-butyl esterDTXSID50335859Carbamic acid, methyl, tert-butyl esterCARBAMIC ACID,N-METHYL,TERT.BUTYL ESTERRefChem:188208DTXCID00286948InChI=1/C6H13NO2/c1-6(2,3)9-5(8)7-4/h1-4H3,(H,7,8JHLVEBNWCCKSGY-UHFFFAOYSA-Ntert-butyl N-methylcarbamatetert-Butyl-N-methylcarbamateMethyl-carbamic acid tert-butyl esterMFCD08899404Carbamic acid, N-methyl-, 1,1-dimethylethyl ester(tert-Butoxycarbonyl)methylamine; Methylcarbamic Acid tert-butyl Ester;N-(tert-Butoxycarbonyl)methylamine; N-Methylcarbamic Acid tert-Butyl Ester;N-Boc-methanaminemethylcarbamic acid tert-butyl ester

REACTIONS