tert-Butyl 2-(iodomethyl)pyrrolidine-1-carboxylate

HCID 545926

ノート反応

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基本情報

CAS: 177750-73-1
標準SMILES: CC(C)(C)OC(=O)N1CCCC1CI
InChIKey: QCETXLFSWJGTAZ-UHFFFAOYSA-N
分子式: C10H18INO2
平均分子量: 311.16 g/mol
単同位体質量: 311.03823

名称と識別子

優先名称: tert-Butyl 2-(iodomethyl)pyrrolidine-1-carboxylate
IUPAC: tert-butyl 2-(iodomethyl)pyrrolidine-1-carboxylate
英語名: tert-Butyl 2-(iodomethyl)-1-pyrrolidinecarboxylate
分子式: C10H18INO2
分子量: 311.16

名称と別名

177750-73-1tert-butyl 2-(iodomethyl)pyrrolidine-1-carboxylateDTXSID80338015RefChem:383176DTXCID10289102860-107-01-Boc-2-(Iodomethyl)pyrrolidineMFCD17214621tert-Butyl 2-(iodomethyl)-1-pyrrolidinecarboxylate2-Iodomethyl-pyrrolidine-1-carboxylic acid tert-butyl esterSCHEMBL641090QCETXLFSWJGTAZ-UHFFFAOYSA-N

名称をさらに表示

N-Boc-2-(iodomethyl)pyrrolidine2-(Iodomethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester1-Pyrrolidinecarboxylic acid, 2-(iodomethyl)-, 1,1-dimethylethyl ester

CHA75073NNA94522AKOS015907309AB69520AB69522AB91462DA-17302SY318736

データベース識別子

CAS: 177750-73-1
PubChem CID: 545926
DTXSID: DTXSID80338015
EC Number: 860-107-0

物性

構造計算による物性

XLogP: 2.8
極性表面積: 29.5 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 14
形式電荷: 0
複雑度: 213

物理化学的性質

沸点: 319 · 319.0±15.0 °C(Predicted)
比重(密度): 1.504 · 1.504
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
酸解離定数(Pka): -2.38 · -2.38±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]；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, 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

化学と産業

サプライヤー21 社

河北贝克曼生物科技有限公司15961617865 15961617865 · [email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

成都安米诺泰医药科技有限公司028-85755578 18140172005 · [email protected]

重庆旭晗科技有限公司13668063927; 13668063927 · [email protected]

天津泛德科技发展有限公司15620920485; 15620920485 · [email protected]

化合物ノート

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