4-(3-クロロプロピル)モルホリン

4-(3-Chloropropyl)morpholine

HCID 95834

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 7357-67-7
標準SMILES: ClCCCN1CCOCC1
InChIKey: PIAZYBLGBSMNLX-UHFFFAOYSA-N
分子式: C7H14ClNO
平均分子量: 163.64 g/mol
単同位体質量: 163.07639175

名称と識別子

優先名称: 4-(3-Chloropropyl)morpholine
IUPAC: 4-(3-chloropropyl)morpholine
現地名: 4-(3-クロロプロピル)モルホリン
英語名: 4-(3-Chloropropyl)morpholine
分子式: C7H14ClNO
分子量: 163.65

名称と別名

4-(3-Chloropropyl)morpholineN-(3-Chloropropyl)morpholineMorpholine, 4-(3-chloropropyl)-82BVM8E6TNNSC 38889NSC-38889DTXSID70223769RefChem:97141DTXCID50146260461-510-0691-245-87357-67-7

名称をさらに表示

4-(3-クロロプロピル)モルホリン3-モルホリノプロピルクロリド4-(3-クロロプロピル)モルホリン塩酸塩Gefitinib iMpurity A4-(3-ChLNSC 28831)-morphoLN-(3-Chloropropyl)MIFLAB-BB F2108-0002Gefitinib IMpurity VIGefitinib Impurity 81

1-Chloro-3-morpholinopropane3-Morpholinopropyl chlorideMFCD000397144-(3-Chloro-propyl)-morpholinechloropropylmorpholine4-(3-chloropropyl)-morpholineUNII-82BVM8E6TN4-(3-chloropropyl) morpholine

データベース識別子

CAS: 7357-67-7
PubChem CID: 95834
DTXSID: DTXSID70223769
UNII: 82BVM8E6TN
EC Number: 461-510-0、691-245-8、943-703-6
Nikkaji: J46.692A

物性

構造計算による物性

XLogP: 0.8
極性表面積: 12.5 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 10
形式電荷: 0
複雑度: 83.7

物理化学的性質

融点: NA
沸点: 115 °C/25mmHg · 115°C/25mmHg(lit.)
比重(密度): 1.0409 g/cm3 · 1.0409 g/cm3
屈折率: 1.472 · 1.4720-1.4760
闪点: 91 °C · 91 °C
貯蔵温度: -20 °C · Inert atmosphere,Store in freezer, under -20°C
溶解性: クロロホルム（微量）、メタノール（微量）
外見: 油
酸解離定数(Pka): 7.03 · 7.03±0.10(Predicted)
比重: 1.08 · 1.08
色: 無色～黄色
InChI: InChI=1S/C7H14ClNO/c8-2-1-3-9-4-6-10-7-5-9/h1-7H2
InChIKey: PQECODMSWJOUAT-UHFFFAOYSA-N
SMILES: N1(CCCCl)CCOCC1
CAS データベース: 7357 · 7357-67-7(CAS DataBase Reference)

化学的性質

化学的特性Pale Yellow Oil

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H302+H312+H332 (12.5%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P203, P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

危険有害性情報

Regulatory InformationStatus: Active Update: 05-06-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28401

Hazard Classes and Categories · 3 件

Acute Tox. 4 (50%)

Acute Tox. 4 (62.5%)

Acute Tox. 4 (100%)

安全データ

hs_code: 2934999090
risk_code: 36/37/38
消防法: 危-4-3-III
safety_code: 26-36/37/39
hazard_class: IRRITANT

化学と産業

応用分野 · 1 件

説明4-(3-Chloropropyl)morpholine is a hydrochloride salt of the potent inhibitor 4-(3-chloropropyl)morpholine. It has an inhibitory effect on cancer, and is used in chromatographic science to separate amines from aliphatic hydrocarbons. 4-(3-Chloropropyl)morpholine inhibits epidermal growth factor (EGF) and has been shown to have a potent inhibitory effect on EGF receptor tyrosine kinase activity. It also inhibits the proliferation of cells by inhibiting DNA synthesis. This compound causes cell death through the inhibition of protein synthesis, which may be due to its ability to inhibit nucleophilic reactions that are involved in protein synthesis. 4-(3-Chloropropyl)morpholine can also fluoresce under UV light, which makes it useful for research purposes.