HCID258544

6-(Dimethylamino)hexylamine

N',N'-dimethylhexane-1,6-diamine

C8H20N2144.26 g/molCAS 1938-58-5

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: CN(C)CCCCCCN
InChIKey: ZUXUNWLVIWKEHB-UHFFFAOYSA-N
分子式: C8H20N2
平均分子量: 144.26 g/mol
单同位素质量: 144.16264865

COMPUTED

结构计算性质

已同步

XLogP: 0.8
极性表面积: 29.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 6
重原子: 10
形式电荷: 0
复杂度: 62

GHS

GHS分类

来源：PubChem

GHS Classification

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P262, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 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

Hazard Classes and Categories

Acute Tox. 4 (100%)；Acute Tox. 3 (100%)；Skin Corr. 1B (100%)

ALIASES

名称与别名

共 29 条

6-(Dimethylamino)hexylamine1938-58-5N1,N1-Dimethylhexane-1,6-diamine(6-aminohexyl)dimethylamineN',N'-dimethylhexane-1,6-diamineMFCD00047980n,n-dimethylhexane-1,6-diamineN1,N1-Dimethyl-hexane-1,6-diamine1,6-Hexanediamine, N,N-dimethyl-NSC87565dimethylaminohexylamine6-dimethylamino-hexylamine6-(dimethylamino)-hexylamineSCHEMBL421181SCHEMBL5167801SCHEMBL11265136DTXSID90293161N,N-dimethyl-hexane-1,6-diamineZUXUNWLVIWKEHB-UHFFFAOYSA-NBAA93858

REACTIONS

参与反应

17 条

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

查看

uspto-grants-1991_01 · 10.6084/m9.figshare.5104873.v1 · US04988725

查看

uspto-grants-2008_07 · 10.6084/m9.figshare.5104873.v1 · US07405218B2

查看

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

查看

uspto-grants-1980_10 · 10.6084/m9.figshare.5104873.v1 · US04226869

查看

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

查看

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

查看

uspto-grants-2003_04 · 10.6084/m9.figshare.5104873.v1 · US06541505B1

查看