结构:NC(=O)NC1CCCc2ccccc21
HCID13037020

(1,2,3,4-Tetrahydronaphthalen-1-yl)urea

1,2,3,4-tetrahydronaphthalen-1-ylurea

C11H14N2O190.24 g/molCAS 58490-97-4

IDENTITY

结构与身份

标准 SMILES
NC(=O)NC1CCCc2ccccc21
InChIKey
PLSFSIDDNZKALV-UHFFFAOYSA-N
分子式
C11H14N2O
平均分子量
190.24 g/mol
单同位素质量
190.11061307

COMPUTED

结构计算性质

已同步
XLogP
1.7
极性表面积
55.1 Ų
氢键供体
2
氢键受体
1
可旋转键
1
重原子
14
形式电荷
0
复杂度
217

GHS

GHS 分类

来源:PubChem
GHS Classification

Warning

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];H319 (100%): Causes serious eye irritation [Warning 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+P351+P338, P317, P319, P321, P330, 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

Acute Tox. 4 (100%);Acute Tox. 4 (100%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);Acute Tox. 4 (100%);STOT SE 3 (100%)

ALIASES

名称与别名

17
(1,2,3,4-tetrahydronaphthalen-1-yl)urea58490-97-41,2,3,4-tetrahydronaphthalen-1-ylurea1,2,3,4-Tetrahydro-1-naphthylurea(R)-(1,2,3,4-Tetrahydronaphthalen-1-yl)-ureaSCHEMBL2358933SCHEMBL30046159PLSFSIDDNZKALV-UHFFFAOYSA-NICA49097AKOS009095955(1,2,3,4-tetrahydro-1-naphtyl)urea(1,2,3,4-tetrahydro-1-naphthyl)ureaCS-0250981EN300-53094G35469AB01005626-01Z198194414

REACTIONS

参与反应

11
HRID153610

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

作为反应物
HRID 153610 方程式

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

查看条件与参与物
HRID678715

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

作为反应物
HRID 678715 方程式

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

查看条件与参与物
HRID1218300

Training data from https://doi.org/10.1039/C8SC04228D (5/10)

作为生成物
HRID 1218300 方程式

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

查看条件与参与物