Tert-butyl 2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate 分子结构式
HCID9834677

Tert-butyl 2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate

C13H23NO3241.33 g/molCAS 240401-28-9

IDENTITY

结构与身份

标准SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(O)C2
InChIKey
QTKGBUXGQNHIIM-UHFFFAOYSA-N
分子式
C13H23NO3
平均分子量
241.33 g/mol
单同位素质量
241.1677936

COMPUTED

结构计算性质

已同步
XLogP
1.6
极性表面积
49.8 Ų
氢键供体
1
氢键受体
3
可旋转键
2
重原子
17
形式电荷
0
复杂度
292

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning 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+P351+P338, P319, P321, P332+P317, P337+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.

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);STOT SE 3 (100%)

ALIASES

名称与别名

共 29 条
Tert-butyl 2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylateDTXSID10431487tert-butyl 2-hydroxy-7-azaspiro(3.5)nonane-7-carboxylateRefChem:892625DTXCID00382318981-653-7240401-28-97-Boc-2-hydroxy-7-azaspiro[3.5]nonaneMFCD145844662-Hydroxy-7-aza-spiro[3.5]nonane-7-carboxylic acid tert-butyl esterorb3177189SCHEMBL1474868QTKGBUXGQNHIIM-UHFFFAOYSA-NQJA401287-Boc-7-azaspiro[3.5]nonan-2-ol7-Boc-7-azaspiro[3.5]nonane-2-olAKOS016008184PB11119AC-30358AS-42007

REACTIONS

参与反应

12
HRID 47341 反应方程式

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06699870B2

查看
HRID 163931 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

查看
HRID 587118 反应方程式

uspto-grants-2016_01 · 10.6084/m9.figshare.5104873.v1 · US09226923B2

查看
HRID 587119 反应方程式

uspto-grants-2016_01 · 10.6084/m9.figshare.5104873.v1 · US09226923B2

查看
HRID 606164 反应方程式

uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07915274B2

查看
HRID 673368 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

查看
HRID 890030 反应方程式

uspto-grants-2006_02 · 10.6084/m9.figshare.5104873.v1 · US06995144B2

查看
HRID 914818 反应方程式

uspto-grants-2007_09 · 10.6084/m9.figshare.5104873.v1 · US07265108B2

查看