(2-Methyl-1,3-dioxolan-2-yl)methanamine

HCID 12434663

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基本情報

CAS: 3289-19-8
標準SMILES: CC1(CN)OCCO1
InChIKey: BVVSUFVLGBJYOR-UHFFFAOYSA-N
分子式: C5H11NO2
平均分子量: 117.15 g/mol

名称と識別子

優先名称: (2-Methyl-1,3-dioxolan-2-yl)methanamine
IUPAC: (2-methyl-1,3-dioxolan-2-yl)methanamine
英語名: TERT-BUTYL (3-BROMO-2-OXOPROPYL)CARBAMATE
分子式: C5H11NO2
分子量: 117.15

名称と別名

(2-methyl-1,3-dioxolan-2-yl)methanamine3289-19-8RefChem:396031800-226-72-(aminomethyl)-2-methyl-1,3-dioxolaneMFCD106981992-Methyl-1,3-dioxolane-2-methanamine1-(2-METHYL-1,3-DIOXOLAN-2-YL)METHANAMINEaminoacetone ethylene ketalSCHEMBL855973BVVSUFVLGBJYOR-UHFFFAOYSA-NALBB-031805

名称をさらに表示

1,3-Dioxolane-2-methanamine, 2-methyl-(2-Methyl-1,3-dioxolan-2-yl)methylamineTERT-BUTYL (3-BROMO-2-OXOPROPYL)CARBAMATE2-(2-Methyl-1,3-dioxolan-2-yl)methan-1-amine

AKOS0063043902-aminomethyl-2-methyl-1,3-dioxolaneAB61528SS-45602-methyl-2-(aminomethyl)-1,3-dioxolaneSY059032DB-303419CS-0139213

データベース識別子

CAS: 3289-19-8
PubChem CID: 12434663
EC Number: 800-226-7
Nikkaji: J1.368.725K

物性

構造計算による物性

XLogP: -0.8
極性表面積: 44.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 8
形式電荷: 0
複雑度: 78.5

物理化学的性質

融点: 28 °C · 28 °C
沸点: 156.4 · 156.4±15.0 °C(Predicted)
比重(密度): 1.027 · 1.027±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
酸解離定数(Pka): 9.77 · 9.77±0.29(Predicted)
外見: liquid
色: Clear, colourless

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H227 (50%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.