4-Phenoxybutan-1-amine

HCID 116240CAS 16728-66-8

基本情報

標準SMILES: NCCCCOc1ccccc1
InChIKey: XUOBVRURUPUPHB-UHFFFAOYSA-N
分子式: C10H15NO
平均分子量: 165.23 g/mol
単同位体質量: 165.1153641

名称と識別子

優先名称: 4-Phenoxybutan-1-amine
IUPAC: 4-phenoxybutan-1-amine
英語名: 4-PHENOXYBUTAN-1-AMINE
分子式: C10H15NO
分子量: 165.23

名称と別名

4-phenoxybutan-1-amineDTXSID10276178RefChem:526283DTXCID00227518890-714-616728-66-84-phenoxybutylamine1-Butanamine, 4-phenoxy-4-Phenoxy-1-butanamineMFCD00031400NSC78379phenoxybutylamine

名称をさらに表示

(4-Phenoxybutyl)amineSCHEMBL2528NCIOpen2_000789SCHEMBL1493157SCHEMBL5256020SCHEMBL7129464SCHEMBL8483805SCHEMBL11523197

データベース識別子

CAS: 16728-66-8
PubChem CID: 116240
DTXSID: DTXSID10276178
EC Number: 890-714-6

物性

構造計算による物性

XLogP: 2.1
極性表面積: 35.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 5
重原子数: 12
形式電荷: 0
複雑度: 100

物理化学的性質

融点: 79.5 °C · 79.5 °C(Solv: ethanol (64-17-5))
沸点: 146 · 146-148 °C(Press: 17 Torr)
比重(密度): 0.991 · 0.991±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 10.29 · 10.29±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, 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.