uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05723472
查看IDENTITY
结构与身份
- 标准SMILES
- CCN=C=NCCCN(C)C.Cl
- InChIKey
- FPQQSJJWHUJYPU-UHFFFAOYSA-N
- 分子式
- C8H18ClN3
- 平均分子量
- 191.7 g/mol
- 单同位素质量
- 191.1189253
COMPUTED
结构计算性质
- 极性表面积
- 28 Ų
- 氢键供体
- 1
- 氢键受体
- 3
- 可旋转键
- 5
- 重原子
- 12
- 形式电荷
- 0
- 复杂度
- 134
PROPERTIES
实验与物化性质
Physical Description
White powder; [Aldrich MSDS]
GHS
GHS分类
GHS Classification
Danger
H302 (73.7%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (56.5%): Toxic in contact with skin [Danger Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (60.6%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (10.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (75.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (43.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H373 (55.9%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure];H400 (56.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (56.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 315 reports by companies from 35 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;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
Chemical: 1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride
Status: Active Update: 08-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23229;Status: Active Update: 28-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/17871
N-(3-Dimethylaminopropyl)-N'-ethylcarbodiimide hydro chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A skin and strong eye irritant; May cause allergic reactions in certain individuals; [Aldrich MSDS]
Hazard Classes and Categories
Acute Tox. 4 (73.7%);Acute Tox. 3 (56.5%);Skin Irrit. 2 (100%);Skin Sens. 1 (60.6%);Eye Dam. 1 (10.2%);Eye Irrit. 2 (75.2%);STOT SE 3 (43.2%);STOT RE 2 (55.9%);Aquatic Acute 1 (56.2%);Aquatic Chronic 1 (56.5%)
REGULATORY
法规信息
Regulatory Information
Chemical: 1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride
Status: Active Update: 08-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23229;Status: Active Update: 28-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/17871
N-(3-Dimethylaminopropyl)-N'-ethylcarbodiimide hydro chloride: Does not have an individual approval but may be used under an appropriate group standard
USES
用途与制造
General Manufacturing Information
1,3-Propanediamine, N3-(ethylcarbonimidoyl)-N1,N1-dimethyl-, hydrochloride (1:1): ACTIVE
ALIASES
名称与别名
REACTIONS
参与反应
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