DL-beta-Phenylalanine (HCID 69189)

概要

3-amino-3-phenylpropanoic acid is a beta-amino acid that is beta-alanine substituted at position 3 by a phenyl group. It is a tautomer of a 3-ammonio-3-phenylpropanoate.

名称と識別子

優先名称: DL-beta-Phenylalanine
IUPAC: 3-amino-3-phenylpropanoic acid
現地名: 3-(3-アミノフェニル)プロピオン酸
英語名: 3-(3-Aminophenyl)propionic acid
分子式: C9H11NO2
分子量: 165.19

名称と別名

614-19-73-AMINO-3-PHENYLPROPANOIC ACIDDL-beta-Phenylalaninebeta-Phenyl-beta-alanineNSC-1979NSC-32026M8YVW47H6HCHEBI:68528RefChem:1083895210-371-23-Amino-3-phenylpropionic aciddl-3-Amino-3-phenylpropionic acid

名称をさらに表示

3-(3-アミノフェニル)プロピオン酸3-(3-アミノフェニル)プロパン酸3-(3-Aminophenyl)propanoic acid3-(3-AMINOPHENYL)PRO3-(2-Carboxyethyl)anilinem-Aminohydrocinnamic acid3-aminohydrocinnamic acid3-aminophenylpropanoicacid3-Aminobenzenepropanoicacid3-Aminobenzenepropionic acid3-amine benzyl propionic acid3-(M-AMINOPHENYL)PROPIONIC ACID

H-DL-beta-Phe-OH3646-50-2H-DL-|A-Phe-OH3-Amino-3-phenyl-propanoic acid3-aminophenylpropionic acidDL-|A-PhenylalanineMFCD000080643-azanyl-3-phenyl-propanoic acid

データベース識別子

CAS: 1664-54-6、3646-50-2、614-19-7
PubChem CID: 69189
DTXSID: DTXSID70870691
ChEBI: CHEBI:68528
UNII: M8YVW47H6H
EC Number: 210-371-2
Nikkaji: J79.739A

物性

構造計算による物性

XLogP: -1.4
極性表面積: 63.3 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 12
形式電荷: 0
複雑度: 153

物理化学的性質

融点: 99 °C · 99 °C
沸点: 356.2 · 356.2±17.0 °C(Predicted)
比重(密度): 1.217 · 1.217±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
外見: solid
酸解離定数(Pka): 4.71 · 4.71±0.10(Predicted)
色: Light brown
BRN: 2804090 · 2804090
InChI: InChI=1S/C9H11NO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5,10H2,(H,11,12)
InChIKey: SBHFVSXLYOBZKD-UHFFFAOYSA-N
SMILES: C1(CCC(O)=O)=CC=CC(N)=C1
CAS データベース: 1664 · 1664-54-6(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H228 (97.4%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P280, and P370+P378 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory InformationStatus: Active Update: 13-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34196

Hazard Classes and CategoriesFlam. Sol. 1 (97.4%)

安全データ

wgk: WGK 3
hs_code: 2916399090
risk_code: 36/37/38-22
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36/37/39
Hazard Classifications: Acute Tox. 4 Oral
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用3-(3-Aminophenyl)propionic acid is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.