(S)-1-(4-ニトロフェニル)エタンアミン

(1S)-1-(4-Nitrophenyl)ethan-1-amine

HCID 1268055

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 4187-53-5
標準SMILES: C[C@H](N)c1ccc([N+](=O)[O-])cc1
InChIKey: RAEVOBPXEHVUFY-LURJTMIESA-N
分子式: C8H10N2O2
平均分子量: 166.18 g/mol
単同位体質量: 166.07422757

名称と識別子

優先名称: (1S)-1-(4-Nitrophenyl)ethan-1-amine
IUPAC: (1S)-1-(4-nitrophenyl)ethanamine
現地名: (S)-1-(4-ニトロフェニル)エタンアミン
英語名: (S)-1-(4-Nitrophenyl)-ethylamine
分子式: C8H10N2O2
分子量: 166.18

名称と別名

4187-53-5(1S)-1-(4-nitrophenyl)ethan-1-amineDTXSID70361438RefChem:205126DTXCID90312487(S)-1-(4-nitrophenyl)ethanamine(S)-4-Nitro-alpha-methylbenzylamine(S)-1-(4-NITROPHENYL)-ETHYLAMINE(S)-alpha-methyl-4-nitrobenzylamine(S)-1-(4-nitrophenyl)ethan-1-amine(1S)-1-(4-nitrophenyl)ethanamineMFCD00137390

名称をさらに表示

(S)-α-メチル-4-ニトロベンジルアミン[S,(-)]-α-メチル-p-ニトロベンジルアミン(S)-1-(4-ニトロフェニル)エタンアミン(S)-4-ニトロ-α-メチルベンジルアミン(S)-1-(4-ニトロフェニル)エチルアミン1-(p-tolyl)ethan-1-amineS-O-NITRO-A-METHYLBENZYLAMINE(S)-(4-Nitrophenyl)ethylaMine1-(S)-4-Nitrophenyl ethylamine(S)-4-Nitro-α-methylbenzylamine

(S)-1-(4-NITROPHENYL)ETHYLAMINE1-(4-Nitrophenyl)ethanamine #NitrosolveEN300-224775SCHEMBL352795Alogliptin Related Compound 33(s)-a-methyl-4-nitrobenzylamine(S)-1-(p-nitrophenyl)ethylamine

データベース識別子

CAS: 4187-53-5
PubChem CID: 1268055
DTXSID: DTXSID70361438
EC Number: 988-830-8
Nikkaji: J257.504C

物性

構造計算による物性

XLogP: 1.3
極性表面積: 71.8 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 159

物理化学的性質

沸点: 120 · 120-121 °C(Press: 1 Torr)
比重(密度): 1.199 · 1.199±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 8.31 · 8.31±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, 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.