2-アミノメチル-4-BOC-モルホリン

tert-Butyl 2-(aminomethyl)morpholine-4-carboxylate

HCID 19081094

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 140645-53-0
標準SMILES: CC(C)(C)OC(=O)N1CCOC(CN)C1
InChIKey: MTMBHUYOIZWQAJ-UHFFFAOYSA-N
分子式: C10H20N2O3
平均分子量: 216.28 g/mol
単同位体質量: 216.1473925

名称と識別子

優先名称: tert-Butyl 2-(aminomethyl)morpholine-4-carboxylate
IUPAC: tert-butyl 2-(aminomethyl)morpholine-4-carboxylate
現地名: 2-アミノメチル-4-BOC-モルホリン
英語名: 2-Aminomethyl-4-Boc-morpholine
分子式: C10H20N2O3
分子量: 216.28

名称と別名

140645-53-0tert-butyl 2-(aminomethyl)morpholine-4-carboxylateDTXSID60597885RefChem:383167DTXCID50548644818-653-22-Aminomethyl-4-Boc-morpholine4-Boc-2-Aminomethylmorpholine4-Boc-(2-Aminomethyl)morpholine4-BOC-2-(AMINOMETHYL)MORPHOLINE4-MORPHOLINECARBOXYLIC ACID, 2-(AMINOMETHYL)-, 1,1-DIMETHYLETHYL ESTERN-Boc-2-aminomethylmorpholine

名称をさらに表示

2-アミノメチル-4-BOC-モルホリンBUTTPARK 90\06-254-N-Boc-2-aminomethylmorpholine(RS)-4-Boc-2-(aMinoMethyl)Morpholine4-Boc-2-aminomethylmorpholine, CAS 140645-53-0TERTIO-BUTYL 2-(AMINOMETHYL)MORPHOLINE-4-CARBOXYLATE

2-(Aminomethyl)morpholine, 4-BOC protectedMFCD064106332-Aminomethyl-morpholine-4-carboxylic acid tert-butyl esterSCHEMBL60605CHEMBL4590147MTMBHUYOIZWQAJ-UHFFFAOYSA-NSBB095297AKOS010592783

データベース識別子

CAS: 140645-53-0
PubChem CID: 19081094
DTXSID: DTXSID60597885
ChEMBL: CHEMBL4590147
EC Number: 818-653-2

物性

構造計算による物性

XLogP: -0.1
極性表面積: 64.8 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 15
形式電荷: 0
複雑度: 225

物理化学的性質

沸点: 310.7 · 310.7±27.0 °C(Predicted)
比重(密度): 1.078 · 1.078±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
酸解離定数(Pka): 9.37 · 9.37±0.29(Predicted)
InChI: InChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12/h8H,4-7,11H2,1-3H3
InChIKey: MTMBHUYOIZWQAJ-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCOC(CN)C1

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (50%): 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, 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.；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.