1-Heptanamine

HCID 8127CAS 111-68-2
部分構造検索類似構造を探す

基本情報

標準SMILES
CCCCCCCN
InChIKey
WJYIASZWHGOTOU-UHFFFAOYSA-N
分子式
C7H17N
平均分子量
115.22 g/mol
単同位体質量
115.13609955

名称と識別子

優先名称
1-Heptanamine
IUPAC
heptan-1-amine
現地名
ヘプチルアミン
英語名
1-Aminoheptane
分子式
C7H17N
分子量
115.22

名称と別名

Heptylamine1-AminoheptaneN-HEPTYLAMINE1-HeptanamineDTXSID7020681NSC 2074EINECS 203-895-8BRN 1731688AI3-24038DTXCID506814-04-00-00734 (Beilstein Handbook Reference)RefChem:432909
名称をさらに表示
ヘプチルアミンN-ヘプチルアミン1-ヘプタンアミンヘプタン-1-アミン1-アミノヘプタン(n-ヘプチルアミン)1-アミノヘプタンN‐ヘプチルアミン1-ヘプチルアミンAMINE C7Heptylaminn-HeptylaminCH3(CH2)6NH2AminoheptaneN-HEPYLAMINE1-Aminoheptan
203-895-8111-68-2heptan-1-amine1-Heptylamineheptyl-amineMFCD00008244NSC-2074Heptanamine

データベース識別子

CAS
111-68-2
PubChem CID
8127
DTXSID
DTXSID7020681
ChEMBL
CHEMBL3561940
ChEBI
CHEBI:182628
UNII
B4GL3L6JSL
EC Number
203-895-8
Nikkaji
J45.690J

物性

構造計算による物性

XLogP
2.6
極性表面積
26 Ų
水素結合供与体数
1
水素結合受容体数
1
回転可能結合数
5
重原子数
8

実験および物理化学的性質

Ionization Efficiency · 6 件

Positive

3.51

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Kovats Retention Index · 3 件

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

物理化学的性質

融点
-23 °C · -23 °C
沸点
154 · 154-156 °C(lit.)
比重(密度)
0.777 g/mL · 0.777 g/mL at 25 °C(lit.)
蒸気圧
4.3 · 4.3-8hPa at 20-30℃
屈折率
20 · n20/D 1.424(lit.)
闪点
95 °F · 95 °F

化学的性質

化学的特性1-Aminoheptane is a flammable liquid.

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 3 件

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

法規制情報

Regulatory Information · 3 件

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

安全データ

F
34
wgk
1
tsca
TSCA listed
rtecs
MK0600000
ridadr
UN 2734 8/PG 2
毒性
mouse,LD50,intraperitoneal,100mg/kg (100mg/kg),Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 30, Pg. 623, 1941.

化学と産業

用途と製造

General Manufacturing Information1-Heptanamine: ACTIVE

応用分野

使用Heptylamine is used in organic syntheses.

調製方法

純化方法Dry it in over KOH pellets for 24hours, then decant it and fractionally distil it. Store away from CO2. [Beilstein 4 IV 734.]

上流・下流製品情報

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]

関連反応

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