1,12-Dodecanediamine 分子结构式
HCID17727

1,12-Dodecanediamine

dodecane-1,12-diamine

C12H28N2200.36 g/molCAS 2783-17-7

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

已同步
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

来源:PubChem
Physical Description

Aqueous solution (90% water); [Aldrich MSDS]

GHS

GHS分类

来源:PubChem
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

来源:PubChem
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

来源:PubChem
Adverse Effects

Dermatotoxin - Skin burns.

Toxicity Data

LC50 (rat) = 680 mg/m3/4hr

REGULATORY

法规信息

来源:PubChem
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

来源:PubChem
General Manufacturing Information

1,12-Dodecanediamine: ACTIVE

ALIASES

名称与别名

共 61 条
1,12-Diaminododecane2783-17-71,12-DODECANEDIAMINEDodecamethylenediamineDodecyldiamine1,12-Dodecamethylenediamine1,12'-Dodecylenediamine1,12'-DodecamethylenediamineJ3LM80W9NTNSC-55050NSC-59861DTXSID2044636RefChem:410376DTXCID0024636220-489-6Dodecane-1,12-diamine1,12-DiamindodecaneN12NNSC 55050NSC 59861

REACTIONS

参与反应

39
HRID 65830 反应方程式

uspto-grants-1978_12 · 10.6084/m9.figshare.5104873.v1 · US04129556

查看
HRID 158357 反应方程式

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

查看
HRID 371908 反应方程式

uspto-grants-1978_05 · 10.6084/m9.figshare.5104873.v1 · US04088626

查看
HRID 436655 反应方程式

uspto-grants-1977_02 · 10.6084/m9.figshare.5104873.v1 · US04009208

查看
HRID 444509 反应方程式

uspto-grants-1981_04 · 10.6084/m9.figshare.5104873.v1 · US04264614

查看
HRID 479847 反应方程式

uspto-grants-2003_11 · 10.6084/m9.figshare.5104873.v1 · US06646111B1

查看
HRID 595383 反应方程式

uspto-grants-2016_01 · 10.6084/m9.figshare.5104873.v1 · US09243023B2

查看
HRID 596754 反应方程式

uspto-grants-1977_03 · 10.6084/m9.figshare.5104873.v1 · US04012365

查看