2-(メチルアミノメチル)-1,3-ジオキソラン

1,3-Dioxolane-2-methanamine, N-methyl-

HCID 541754

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 57366-77-5
標準SMILES: CNCC1OCCO1
InChIKey: ZCCPVTVGEQLONB-UHFFFAOYSA-N
分子式: C5H11NO2
平均分子量: 117.15 g/mol
単同位体質量: 117.07897859

名称と識別子

優先名称: 1,3-Dioxolane-2-methanamine, N-methyl-
IUPAC: 1-(1,3-dioxolan-2-yl)-N-methylmethanamine
現地名: 2-(メチルアミノメチル)-1,3-ジオキソラン
英語名: 2-Methylaminomethyl-1,3-dioxolane
分子式: C5H11NO2
分子量: 117.15

名称と別名

57366-77-5N-Methyl-1,3-dioxolane-2-methanamine1,3-Dioxolane-2-methanamine, N-methyl-DTXSID90205966RefChem:414909DTXCID201284572-Methylaminomethyl-1,3-dioxolane1-(1,3-dioxolan-2-yl)-N-methylmethanamineMFCD00010422[(1,3-dioxolan-2-yl)methyl](methyl)amineSCHEMBL441973SCHEMBL5000606

名称をさらに表示

2-メチルアミノメチル-1,3-ジオキソラン2-(メチルアミノメチル)-1,3-ジオキソラン[(1,3-ジオキソラン-2-イル)メチル](メチル)アミン2-Methylaminomethyl-1,3-dioxolane 98%2-METHYLAMINOMETHYL-1,3-DIOXOLANE USP/EP/BP

2-Methylaminomethyl-13-dioxolane2-methylaminomethyl-1,3 dioxolaneSTR048072-methylaminomethyl-1, 3 dioxolane[1,3]dioxolan-2-ylmethylmethylamine[1,3]dioxolan-2-ylmethyl-methylamineAKOS006223008[1,3]-dioxolan-2-ylmethyl-methylamine

データベース識別子

CAS: 57366-77-5
PubChem CID: 541754
DTXSID: DTXSID90205966
EC Number: 621-371-0
Nikkaji: J149.580A

物性

構造計算による物性

XLogP: -0.6
極性表面積: 30.5 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: 2
重原子数: 8
形式電荷: 0
複雑度: 61.4

物理化学的性質

沸点: 150.2 · 150.2±15.0 °C(Predicted)
比重(密度): 1.029 g/mL · 1.029 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.4404(lit.)
闪点: 137 °F · 137 °F
酸解離定数(Pka): 10.25 · 10.25±0.10(Predicted)
InChI: 1S/C5H11NO2/c1-6-4-5-7-2-3-8-5/h5-6H,2-4H2,1H3
InChIKey: ZCCPVTVGEQLONB-UHFFFAOYSA-N
SMILES: CNCC1OCCO1

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationChemical: 1,3-Dioxolane-2-methanamine, N-methyl-

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

安全データ

wgk: 3
ridadr: UN 1993 3/PG 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: 3.2
packing_group: III
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野

使用2-Methylaminomethyl-1,3-dioxolane was used in the synthesis of N-[methyl(2-hydroxy-3,5-dimethylphenyl)]-N-methyl-N-methyl-1,3-dioxolaneamine (mpoa-H).