uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08830811B2
查看IDENTITY
结构与身份
- 标准SMILES
- CCCCCCCCCCCCN(CCCN)CCCN
- InChIKey
- NYNKJVPRTLBJNQ-UHFFFAOYSA-N
- 分子式
- C18H41N3
- 平均分子量
- 299.5 g/mol
- 单同位素质量
- 299.33004832
COMPUTED
结构计算性质
- XLogP
- 4.7
- 极性表面积
- 55.3 Ų
- 氢键供体
- 2
- 氢键受体
- 3
- 可旋转键
- 17
- 重原子
- 21
- 形式电荷
- 0
- 复杂度
- 177
GHS
GHS分类
GHS Classification
Danger
H301 (95.4%): Toxic if swallowed [Danger Acute toxicity, oral];H314 (96%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (71.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H373 (90.5%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure];H400 (90.9%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (90.3%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P260, P264, P264+P265, P270, P273, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 875 reports by companies from 23 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-(3-aminopropyl)-N-dodecyl-;Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 21-12-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/5949
1,3-Propanediamine, N-(3-aminopropyl)-N-dodecyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 3 (95.4%);Skin Corr. 1B (96%);Eye Dam. 1 (71.2%);STOT RE 2 (90.5%);Aquatic Acute 1 (90.9%);Aquatic Chronic 1 (90.3%)
Acute toxicity (Oral) - Category 3;Skin corrosion/irritation - Category 1A;Serious eye damage/eye irritation - Category 1;Specific target organ toxicity - Repeated exposure - Category 2 (kidney);Hazardous to the aquatic environment (Acute) - Category 1;Hazardous to the aquatic environment (Long-term) - Category 1
REGULATORY
法规信息
Regulatory Information
Chemical: 1,3-propanediamine, N-(3-aminopropyl)-N-dodecyl-;Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 21-12-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/5949
1,3-Propanediamine, N-(3-aminopropyl)-N-dodecyl-: Does not have an individual approval but may be used under an appropriate group standard
USES
用途与制造
Uses
Use (kg; approx.) in Germany (2009): >10;Consumption (g per capita; approx.) in Germany (2009): 0.000122;Calculated removal (%): 94.1
Use Classification
Cosmetics -> Hair conditioning; Viscosity controlling
General Manufacturing Information
1,3-Propanediamine, N1-(3-aminopropyl)-N1-dodecyl-: ACTIVE
ALIASES
名称与别名
REACTIONS
参与反应
uspto-grants-1983_11 · 10.6084/m9.figshare.5104873.v1 · US04415488
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