4-BOC-2-(ブロモメチル)モルホリン

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

HCID 57418765

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 765914-78-1
標準SMILES: CC(C)(C)OC(=O)N1CCOC(CBr)C1
InChIKey: RLXCSEPIBOWMOJ-UHFFFAOYSA-N
分子式: C10H18BrNO3
平均分子量: 280.16 g/mol
単同位体質量: 279.04701

名称と識別子

優先名称: tert-Butyl 2-(bromomethyl)morpholine-4-carboxylate
IUPAC: tert-butyl 2-(bromomethyl)morpholine-4-carboxylate
現地名: 4-BOC-2-(ブロモメチル)モルホリン
英語名: 4-Boc-2-(broMoMethyl)Morpholine
分子式: C10H18BrNO3
分子量: 280.16

名称と別名

765914-78-1tert-butyl 2-(bromomethyl)morpholine-4-carboxylateDTXSID80726276RefChem:383170DTXCID70677021831-082-34-Boc-2-(bromomethyl)morpholineMFCD20489326C10H18BrNO3N-BOC-(2)-(BROMOMETHYL)MORPHOLINESCHEMBL24444204-Morpholinecarboxylic acid, 2-(bromomethyl)-, 1,1-dimethylethyl ester

名称をさらに表示

4-BOC-2-(ブロモメチル)モルホリン4-Boc-broMoMethylMorpholine2-Bromomethylmorpholine-4-carboxylic acid tert-butyl ester

4-Boc-2-(bromomethyl)-morpholine(R)-tert-Butyl 2-(bromomethyl)-morpholine-4-carboxylateRLXCSEPIBOWMOJ-UHFFFAOYSA-NQFB91478ULB28658AKOS016002111PB43842SB47483

データベース識別子

CAS: 765914-78-1
PubChem CID: 57418765
DTXSID: DTXSID80726276
EC Number: 831-082-3

物性

構造計算による物性

XLogP: 1.6
極性表面積: 38.8 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 15
形式電荷: 0
複雑度: 227

物理化学的性質

沸点: 328.8 · 328.8±32.0 °C(Predicted)
比重(密度): 1.334 · 1.334±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
酸解離定数(Pka): -2.34 · -2.34±0.40(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, 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)

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