uspto-grants-1978_12 · 10.6084/m9.figshare.5104873.v1 · US04129556
查看IDENTITY
结构与身份
- 标准SMILES
- NCCCCCCCCCCCCN
- InChIKey
- QFTYSVGGYOXFRQ-UHFFFAOYSA-N
- 分子式
- C12H28N2
- 平均分子量
- 200.36 g/mol
- 单同位素质量
- 200.2252489
COMPUTED
结构计算性质
- XLogP
- 3
- 极性表面积
- 52 Ų
- 氢键供体
- 2
- 氢键受体
- 2
- 可旋转键
- 11
- 重原子
- 14
- 形式电荷
- 0
- 复杂度
- 82
PROPERTIES
实验与物化性质
Physical Description
Aqueous solution (90% water); [Aldrich MSDS]
GHS
GHS分类
GHS Classification
This chemical does not meet GHS hazard criteria for 7.1% (4 of 56) of reports.
Danger
H302 (92.9%): Harmful if swallowed [Warning Acute toxicity, oral];H314 (82.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (10.7%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (73.2%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (12.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H331 (12.5%): Toxic if inhaled [Danger Acute toxicity, inhalation];H400 (10.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P332+P317, P333+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 56 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 4 of 56 reports by companies.;There are 6 notifications provided by 52 of 56 reports by companies with hazard statement code(s).;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.
HAZARDS
危害信息
Regulatory Information
Status: Active Update: 28-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/29535;Status: Active Update: 31-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25721
1,12-Dodecanediamine: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A mild eye irritant; Causes hypermotility, weight loss, and respiratory depression in inhalation studies of rats; Causes inflammation of trachea and bronchi in 2-week intermittent inhalation studies of rats; [RTECS] Causes burns; May cause skin sensitization; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; [Aldrich MSDS] See 1,8-Octamethylenediamine and 1,6-Diaminohexane.
Hazard Classes and Categories
Acute Tox. 4 (92.9%);Skin Corr. 1B (82.1%);Skin Irrit. 2 (10.7%);Skin Sens. 1B (73.2%);Eye Dam. 1 (12.5%);Acute Tox. 3 (12.5%);Aquatic Acute 1 (10.7%)
TOXICITY
毒理信息
Adverse Effects
Dermatotoxin - Skin burns.
Toxicity Data
LC50 (rat) = 680 mg/m3/4hr
REGULATORY
法规信息
Regulatory Information
Status: Active Update: 28-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/29535;Status: Active Update: 31-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25721
1,12-Dodecanediamine: Does not have an individual approval but may be used under an appropriate group standard
USES
用途与制造
General Manufacturing Information
1,12-Dodecanediamine: ACTIVE
ALIASES
名称与别名
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
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