3-[(2-Hydroxyethyl)amino]propane-1,2-diol

HCID 15034945CAS 20829-81-6

基本情報

標準SMILES: OCCNCC(O)CO
InChIKey: WDMIBBXCJKNKPN-UHFFFAOYSA-N
分子式: C5H13NO3
平均分子量: 135.16 g/mol
単同位体質量: 135.08954328

名称と識別子

優先名称: 3-[(2-Hydroxyethyl)amino]propane-1,2-diol
IUPAC: 3-(2-hydroxyethylamino)propane-1,2-diol

名称と別名

3-[(2-hydroxyethyl)amino]propane-1,2-diol3-[(2-Hydroxyethyl)amino]-1,2-propanediol3-((2-hydroxyethyl)amino)propane-1,2-diol3-((2-Hydroxyethyl)amino)-1,2-propanediolRefChem:488289976-259-720829-81-63-(2-Hydroxyethylamino)propane-1,2-diol1,2-Propanediol, 3-[(2-hydroxyethyl)amino]-SCHEMBL2231452SCHEMBL7777469SCHEMBL9161698

名称をさらに表示

WDMIBBXCJKNKPN-UHFFFAOYSA-NDTXSID601270779AKOS008926207N-(Hydroxyethyl)-Amino-2,3-propanediol3-(N-2-hydroxyethyl)amino-1,2-propanediol3-(N-2-hydroxyethyl)amino-1, 2-propanediolEN300-256177F340564

データベース識別子

CAS: 20829-81-6
PubChem CID: 15034945
DTXSID: DTXSID601270779
EC Number: 976-259-7
Nikkaji: J2.933.549D

物性

構造計算による物性

XLogP: -2.2
極性表面積: 72.7 Å²
水素結合供与体数: 4
水素結合受容体数: 4
回転可能結合数: 5
重原子数: 9
形式電荷: 0
複雑度: 60

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.