HCID75539

N-Methyloctadecylamine

N-methyloctadecan-1-amine

C19H41N283.5 g/molCAS 2439-55-6

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IDENTITY

结构与身份

标准SMILES: CCCCCCCCCCCCCCCCCCNC
InChIKey: SZEGKVHRCLBFKJ-UHFFFAOYSA-N
分子式: C19H41N
平均分子量: 283.5 g/mol
单同位素质量: 283.32390031

COMPUTED

结构计算性质

已同步

XLogP: 8.6
极性表面积: 12 Å²
氢键供体: 1
氢键受体: 1
可旋转键: 17
重原子: 20
形式电荷: 0
复杂度: 156

PROPERTIES

实验与物化性质

来源：PubChem

Kovats Retention Index

2088

GHS

GHS分类

来源：PubChem

GHS Classification

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (48.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (51.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (48.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 78 reports by companies from 4 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

来源：PubChem

Regulatory Information

Chemical: 1-Octadecanamine, N-methyl-

Status: Active Update: 22-01-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16874

Other Safety Information

IMAP assessments - 1-Octadecanamine, N-methyl-: Human health tier I assessment

Hazard Classes and Categories

Skin Irrit. 2 (100%)；Eye Dam. 1 (48.7%)；Eye Irrit. 2 (51.3%)；STOT SE 3 (50%)；Aquatic Chronic 2 (48.7%)

REGULATORY

法规信息

来源：PubChem

Regulatory Information

Chemical: 1-Octadecanamine, N-methyl-

Status: Active Update: 22-01-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16874

USES

用途与制造

来源：PubChem

General Manufacturing Information

1-Octadecanamine, N-methyl-: ACTIVE

ALIASES

名称与别名

共 57 条

N-MethyloctadecylamineN-Methyl-N-octadecylamineN-MethylstearylamineMethyloctadecylamineN-Methyl-1-octadecanamine1-Octadecanamine, N-methyl-OctadecylmethylamineMethylstearylamineN-Methyl-N-stearylamineN-Stearyl-N-methylamineN-MethyloctadecanamineOctadecylamine, N-methyl-Methyl-n-octadecylamineN-octadecylmethylamineNSC 66468UNII-VII03N5WBXVII03N5WBXEINECS 219-463-7BRN 1758431Methyl-octadecyl-amine

REACTIONS

参与反应

40 条

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05728649

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-1986_08 · 10.6084/m9.figshare.5104873.v1 · US04608444

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uspto-grants-1977_12 · 10.6084/m9.figshare.5104873.v1 · US04064091

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