1-Heptanamine 分子结构式
HCID8127

1-Heptanamine

heptan-1-amine

C7H17N115.22 g/molCAS 111-68-2

IDENTITY

结构与身份

标准SMILES
CCCCCCCN
InChIKey
WJYIASZWHGOTOU-UHFFFAOYSA-N
分子式
C7H17N
平均分子量
115.22 g/mol
单同位素质量
115.13609955

COMPUTED

结构计算性质

已同步
XLogP
2.6
极性表面积
26 Ų
氢键供体
1
氢键受体
1
可旋转键
5
重原子
8
形式电荷
0
复杂度
35

PROPERTIES

实验与物化性质

来源:PubChem
Ionization Efficiency

Positive

3.51

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Kovats Retention Index

930;937;941;928;943.2;939;930;931;931;942;932;933;934;935

918;930;931;932;932;932;932;932;933;933;933;933;934;934;935;931;932;933;933;934

1218;1215;1215;1217;1219;1220;1223;1213

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids];H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 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-Heptanamine

Status: Cease Manufacture Update: 08-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21376

1-Heptanamine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories

Flam. Liq. 3 (100%);Skin Corr. 1A (100%)

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Chemical: 1-Heptanamine

Status: Cease Manufacture Update: 08-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21376

1-Heptanamine: 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-Heptanamine: ACTIVE

ALIASES

名称与别名

共 66 条
Heptylamine1-AminoheptaneN-HEPTYLAMINE1-HeptanamineDTXSID7020681NSC 2074EINECS 203-895-8BRN 1731688AI3-24038DTXCID506814-04-00-00734 (Beilstein Handbook Reference)RefChem:432909203-895-8111-68-2heptan-1-amine1-Heptylamineheptyl-amineMFCD00008244NSC-2074Heptanamine

REACTIONS

参与反应

147
HRID 19597 反应方程式

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07745450B2

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HRID 36144 反应方程式

uspto-grants-1995_05 · 10.6084/m9.figshare.5104873.v1 · US05412137

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HRID 47788 反应方程式

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06699904B2

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HRID 47804 反应方程式

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06699904B2

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HRID 47812 反应方程式

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06699904B2

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HRID 47815 反应方程式

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06699904B2

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HRID 65764 反应方程式

uspto-grants-1978_12 · 10.6084/m9.figshare.5104873.v1 · US04128658

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HRID 93462 反应方程式

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

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