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Aspartyl phenylalanine methyl ester

CAS 22839-47-0C14H18N2O5MW 294.30

Aspartyl phenylalanine methyl ester (CAS 22839-47-0) — formula C14H18N2O5, molecular weight 294.30; category chemical.

Specifications

CAS Number22839-47-0
Molecular FormulaC14H18N2O5
Molecular Weight294.30
Melting Point246.5 °C
LogP-0.1
CategorySweeteners

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What this product is

Aspartyl phenylalanine methyl ester is a chemical compound with CAS registry number 22839-47-0 and molecular formula C14H18N2O5 (molecular weight 294.30), belonging to the chemical segment of chemical raw materials.

Identification

CAS number: 22839-47-0

Its molecular formula C14H18N2O5 comprises 14 C, 18 H, 2 N, 5 O atoms.

Also known as: Aspartyl phenylalanine methyl ester · Aspartame · APM

Category: chemical

Frequently Asked Questions

What is the CAS number of Aspartyl phenylalanine methyl ester?

The CAS registry number of Aspartyl phenylalanine methyl ester is 22839-47-0.

What is the molecular formula and molecular weight of Aspartyl phenylalanine methyl ester?

Molecular formula C14H18N2O5, molecular weight 294.30.

What other names is Aspartyl phenylalanine methyl ester known by?

It is also registered under: Aspartyl phenylalanine methyl ester, Aspartame, APM.

Which category does Aspartyl phenylalanine methyl ester belong to?

Category: Sweeteners.

PubChem Public Data

Public-database records for Aspartyl phenylalanine methyl ester (CAS 22839-47-0), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS 通报统计96.9% (186 / 192)

Regulatory listings

法规与食品接触FDA Substance added to food: FLAVOR ENHANCER, NON-NUTRITIVE SWEETENER
SWEETENER: Food Additives
0–40 mg/kg bw
TRS 1050-JECFA 96/3
FAS 87-JECFA 96/1
GHS 通报统计96.9% (186 / 192)

Reported physical properties

熔点246.5 °C
LogP-0.1
Dissociation Constants3.19
Dissociation Constants7.87
Collision Cross Section127.4 Ų [M+H]+
Collision Cross Section126.6 Ų [M-H]-

How this substance is indexed

CAS 号22839-47-0
PubChem CID134601
分子式C14H18N2O5
分子量294.12 g/mol
IUPAC 名称(3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
InChIKeyIAOZJIPTCAWIRG-QWRGUYRKSA-N
UNII(FDA)Z0H242BBR1
ChEBI 编号CHEBI:195544

Names this substance appears under

aspartame; 22839-47-0; Nutrasweet; Asp-phe-ome; Aspartam; Aspartamo; Sweet dipeptide; L-Aspartyl-L-phenylalanine methyl ester; Aspartamum; Dipeptide sweetener; Equal; Methyl aspartylphenylalanate; Aspartylphenylalanine methyl ester; Pal Sweet; Sladex; Zero-cal

Computed molecular descriptors

分子量294.30
XLogP3-2.7
氢键供体数3
氢键受体数6
可旋转键数8
精确质量294.12157168
单同位素质量294.12157168
拓扑极性表面积119
重原子数21
形式电荷0

Database abstract

Aspartame 的 CAS 号为 22839-47-0,分子式 C14H18N2O5,分子量 294.12 g/mol。 UNII Z0H242BBR1; ChEBI 195544; InChIKey IAOZJIPTCAWIRG-QWRGUYRKSA-N. 熔点: 246.5 °C; LogP: -0.1; Dissociation Constants: 3.19.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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