N-ブチル-N-(3-クロロプロピル)-1-ブタンアミン

N-(3-Chloropropyl)dibutylamine

HCID 96084CAS 36421-15-5

部分構造検索類似構造を探す

基本情報

標準SMILES: CCCCN(CCCC)CCCCl
InChIKey: ANLMKUQEPXRMGV-UHFFFAOYSA-N
分子式: C11H24ClN
平均分子量: 205.77 g/mol
単同位体質量: 205.1597275

名称と識別子

優先名称: N-(3-Chloropropyl)dibutylamine
IUPAC: N-butyl-N-(3-chloropropyl)butan-1-amine
現地名: N-ブチル-N-(3-クロロプロピル)-1-ブタンアミン
英語名: N-(3-chloropropyl)dibutylamine
分子式: C11H24ClN
分子量: 205.77

名称と別名

N-(3-Chloropropyl)dibutylamineEINECS 253-027-7DTXSID40189949NSC 511332-(n-butyl)-3-(4-hydroxybenzoyl)-5-nitrobenzofuranRefChem:826496DTXCID50112440253-027-736421-15-5n-butyl-n-(3-chloropropyl)butan-1-amineMFCD131859661-Dibutylamino-3-chloropropane

名称をさらに表示

N-ブチル-N-(3-クロロプロピル)-1-ブタンアミンN-(3-クロロプロピル)ジブチルアミンジブチル(3-クロロプロピル)アミンN-(3-ChLDronedarone Intermediate 2Dronedarone Intermediate 4Dronedarone hydrochloride SM2

(3-Chloropropyl)dibutylamine5ZLC4BY7K51-chloro-3-dibutylaminopropaneNSC-51133dibutyl(3-chloropropyl)amine1-Butanamine, N-butyl-N-(3-chloropropyl)-N-Butyl-N-(3-chloropropyl)-1-butanamineNSC51133

データベース識別子

CAS: 36421-15-5
PubChem CID: 96084
DTXSID: DTXSID40189949
UNII: 5ZLC4BY7K5
EC Number: 253-027-7
Nikkaji: J332.289K

物性

構造計算による物性

XLogP: 3.7
極性表面積: 3.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 9
重原子数: 13
形式電荷: 0
複雑度: 88

物理化学的性質

沸点: 118 · 118-130 °C(Press: 25 Torr)
比重(密度): 0.899 · 0.899±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 9.39 · 9.39±0.50(Predicted)
外見: liquid
色: Pale yellow
InChI: InChI=1S/C11H24ClN/c1-3-5-9-13(10-6-4-2)11-7-8-12/h3-11H2,1-2H3
InChIKey: ANLMKUQEPXRMGV-UHFFFAOYSA-N
SMILES: C(N(CCCC)CCCCl)CCC

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Warning

H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (20%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H371 (20%): May cause damage to organs [Warning Specific target organ toxicity, single exposure]

P260, P261, P264, P264+P265, P270, P271, P280, P302+P352, P304+P340, P305+P351+P338, P308+P316, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 5 reports by companies.；There are 3 notifications provided by 4 of 5 reports by companies with hazard statement code(s).；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.