N-(tert-ブトキシカルボニル)-N'-メチルエチレンジアミン

N-(tert-Butoxycarbonyl)-N'-methylethylenediamine

HCID 3435744

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 122734-32-1
標準SMILES: CNCCNC(=O)OC(C)(C)C
InChIKey: GKWGBMHXVRSFRT-UHFFFAOYSA-N
分子式: C8H18N2O2
平均分子量: 174.24 g/mol
単同位体質量: 174.13682782

名称と識別子

優先名称: N-(tert-Butoxycarbonyl)-N'-methylethylenediamine
IUPAC: tert-butyl N-[2-(methylamino)ethyl]carbamate
現地名: N-(tert-ブトキシカルボニル)-N'-メチルエチレンジアミン
英語名: tert-Butyl 2-(methylamino)ethylcarbamate
分子式: C8H18N2O2
分子量: 174.24

名称と別名

N-(tert-Butoxycarbonyl)-N'-methylethylenediamineRefChem:828692805-762-5122734-32-1tert-Butyl 2-(methylamino)ethylcarbamatetert-Butyl (2-(methylamino)ethyl)carbamatetert-butyl N-[2-(methylamino)ethyl]carbamate1-(Boc-amino)-2-(methylamino)ethaneMFCD06808585N-Boc-2-methylamino-ethylamineN-Boc-N'-methylethylenediamineCarbamic acid, N-[2-(methylamino)ethyl]-, 1,1-dimethylethyl ester

名称をさらに表示

N-(tert-ブトキシカルボニル)-N'-メチルエチレンジアミンN-(2-メチルアミノエチル)カルバミン酸 tert-ブチルN-(tert-ブトキシカルボニル)-N'-メチル-1,2-ジアミノエタンN-Boc-N'-メチル-1,2-ジアミノエタンN-Boc-N'-メチルエチレンジアミンＮ-Boc-Ｎ′-メチルエチレンジアミンBUTTPARK 90\06-211-BOC-AMINO-2-METHYLAMINO-ETHANEBoc-2-(Methylamino)ethylcarbamate2-N-Boc-N1-methylethane-1,2-diamineN-Boc-2-methylamino-ethylamine, 98%1-Boc-Amino-2-methylamino-ethane ,98%ert-Butyl2-(methylamino)ethylcarbamatetert-Butyl 2-(methylamino)ethylcarbamat

tert-butyl(2-(methylamino)ethyl)carbamatetert-butyl [2-(methylamino)ethyl]carbamateBoc-2-methylamino-ethylcarbamateTert-butyl (2-methylamino-ethyl)-carbamate(2-Methylamino-ethyl)-carbamic acid tert-butyl esterBocNHCH2CH2NHMeTert-butyl N-(2-methylaminoethyl)carbamateCarbamic acid, [2-(methylamino)ethyl]-, 1,1-dimethylethyl ester

データベース識別子

CAS: 122734-32-1
PubChem CID: 3435744
DTXSID: DTXSID70392464
EC Number: 805-762-5

物性

構造計算による物性

XLogP: 0.5
極性表面積: 50.4 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 5
重原子数: 12
形式電荷: 0
複雑度: 140

物理化学的性質

融点: 35 °C · 35 °C
沸点: 260.1 · 260.1±23.0 °C(Predicted)
比重(密度): 0.958 · 0.958±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: soluble in Methanol
外見: powder to lump
酸解離定数(Pka): 12 · 12+-.0.46(Predicted)
色: White to Almost white
InChI: InChI=1S/C8H18N2O2/c1-8(2,3)12-7(11)10-6-5-9-4/h9H,5-6H2,1-4H3,(H,10,11)
InChIKey: GKWGBMHXVRSFRT-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)NCCNC
CAS データベース: 122734 · 122734-32-1

化学的性質

化学的特性White to very pale yellow solid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+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.