Diethyl aminomalonate hydrochloride

C₇H₁₄ClNO₄CAS 13433-00-6211.64 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₇H₁₄ClNO₄
Molar mass: 211.64 g/mol
Exact mass: 211.0611 Da
Melting point: 162 °C
logP: -0.14Crippen estimate
Polar surface area: 78.6 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation90.6% of notifiers
H319 Causes serious eye irritation90.6% of notifiers
H335 May cause respiratory irritation88.7% of notifiers

Aggregated from 53 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

13433-00-6

SMILES

CCOC(=O)C(N)C(=O)OCC.Cl

InChIKey

GLFVNTDRBTZJIY-UHFFFAOYSA-N

InChI

InChI=1S/C7H13NO4.ClH/c1-3-11-6(9)5(8)7(10)12-4-2;/h5H,3-4,8H2,1-2H3;1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names

Propanedioic acid, 2-amino-, 1,3-diethyl ester, hydrochloride (1:1)
Malonic acid, amino-, diethyl ester, hydrochloride
Propanedioic acid, amino-, diethyl ester, hydrochloride
Aminomalonic acid diethyl ester, hydrochloride
Diethyl 2-aminomalonate hydrochloride
2-Aminomalonic acid diethyl ester hydrochloride
Diethyl aminopropanedioate hydrochloride
1,3-Diethyl 2-aminopropanedioate hydrochloride
1,3-Diethoxy-1,3-dioxopropan-2-aminium chloride

Reactions

DIETHYL AMINOMALONATE HYDROCHLORIDE (Malonic acid, amino-, diethyl ester, hydrochloride)product

Work with Diethyl aminomalonate hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diethyl aminomalonate6829-40-988 % similar (S)-Alanine ethyl ester hydrochloride1115-59-967 % similar DL-α-Alanine ethyl ester hydrochloride617-27-667 % similar (S)-Valine ethyl ester hydrochloride17609-47-163 % similar (±)-Valine ethyl ester hydrochloride23358-42-163 % similar Ethyl 2-amino-3-methylvalerate hydrochloride56782-52-662 % similar L-Seryl ethyl ester hydrochloride26348-61-861 % similar L-Norvaline, ethyl ester, hydrochloride (1:1)40918-51-261 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,5-Dimethyl 2-aminopentanedioate hydrochloride13515-99-6 Dimethyl L-glutamate hydrochloride23150-65-4 Dimethyl D-glutamate hydrochloride27025-25-8 Sevelamer carbonate845273-93-0

Elsewhere

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