1-[1-(4-クロロフェニル)シクロプロピル]メタンアミン

[1-(4-Chlorophenyl)cyclopropyl]methanamine

HCID 4120166

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 69385-29-1
標準SMILES: NCC1(c2ccc(Cl)cc2)CC1
InChIKey: VXHKUEKHNVGRTP-UHFFFAOYSA-N
分子式: C10H12ClN
平均分子量: 181.66 g/mol
単同位体質量: 181.0658271

名称と識別子

優先名称: [1-(4-Chlorophenyl)cyclopropyl]methanamine
IUPAC: [1-(4-chlorophenyl)cyclopropyl]methanamine
現地名: 1-[1-(4-クロロフェニル)シクロプロピル]メタンアミン
英語名: C-[1-(4-CHLORO-PHENYL)-CYCLOPROPYL]-METHYLAMINE
分子式: C10H12ClN
分子量: 181.66

名称と別名

(1-(4-Chlorophenyl)cyclopropyl)methanamine[1-(4-chlorophenyl)cyclopropyl]methanamineRefChem:391747849-789-069385-29-11-[1-(4-chlorophenyl)cyclopropyl]methanamineMFCD062130951-(4-CHLOROPHENYL)-CYCLOPROPANEMETHANAMINE1-(4-Chlorophenyl)cyclopropane-1-methanamineC-[1-(4-CHLORO-PHENYL)-CYCLOPROPYL]-METHYLAMINESY1042631-[1-(4-chlorophenyl)cyclopropyl]methanamine hydrobromide

名称をさらに表示

1-[1-(4-クロロフェニル)シクロプロピル]メタンアミンKML-8OTAVA-BB 7020542747Cyclopropanemethanamine, 1-(4-chlorophenyl)-{[1-(4-chlorophenyl)cyclopropyl]methyl}amine hydrobromide1-[1-(4-chlorophenyl)cyclopropyl]methanamine(SALTDATA: FREE)

[(4-chlorophenyl)cyclopropyl]methylamineSCHEMBL1672926RARECHEM AL BW 1128DTXSID10399538VXHKUEKHNVGRTP-UHFFFAOYSA-NALBB-025329SBB072482STK664130

データベース識別子

CAS: 69385-29-1
PubChem CID: 4120166
DTXSID: DTXSID10399538
EC Number: 849-789-0

物性

構造計算による物性

XLogP: 2.2
極性表面積: 26 Å²
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: 2
重原子数: 12
形式電荷: 0
複雑度: 157

物理化学的性質

沸点: 266.5 · 266.5±23.0 °C(Predicted)
比重(密度): 1.19 · 1.190±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: solid
酸解離定数(Pka): 10.36 · 10.36±0.29(Predicted)
InChI: 1S/C10H12ClN/c11-9-3-1-8(2-4-9)10(7-12)5-6-10/h1-4H,5-7,12H2
InChIKey: VXHKUEKHNVGRTP-UHFFFAOYSA-N
SMILES: ClC1=CC=C(C=C1)C2(CN)CC2

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.