Propanedioic acid, 2-amino-, 1,3-diethyl ester, hydrochloride (1:1)
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Propanedioic acid, 2-amino-, 1,3-diethyl ester, hydrochloride (1:1)
structure -
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CAS No:
13433-00-6
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Formula:
C7H13NO4.ClH
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Chemical Name:
Propanedioic acid, 2-amino-, 1,3-diethyl ester, hydrochloride (1:1)
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Synonyms:
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 aminomalonate 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;130385-16-9;69828-44-0
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CAS No:
Propanedioic acid, 2-amino-, 1,3-diethyl ester, hydrochloride (1:1) Basic Attributes
211.64
211.061142
3568037
236-556-8
76074
DTXSID50158646
29224995
Characteristics
78.6
0.94220
White to slightly yellow Crystalline Powder
1.129 g/cm3
162 °C
156 - 158ºC
52.3ºC
soluble
Store below +30°C.
0.332mmHg at 25°C
Safety Information
NONH for all modes of transport
3
36/37/38
26-36
Xi
Irritant
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 53 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Propanedioic acid, 2-amino-, 1,3-diethyl ester, hydrochloride (1:1) Use and Manufacturing
Used as a pharmaceutical intermediate for the synthesis of pyrimidine heterocyclic compounds
Computed Properties
Molecular Weight:211.64
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:211.0611356
Monoisotopic Mass:211.0611356
Topological Polar Surface Area:78.6
Heavy Atom Count:13
Complexity:151
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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