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1-[3-[(2-Ethylhexyl)amino]-1-methyl-3-oxopropyl] butanedioate

1-[3-[(2-Ethylhexyl)amino]-1-methyl-3-oxopropyl] butanedioate structure

CAS No:
32838-28-1
Formula:
C16H29NO5
Chemical Name:
1-[3-[(2-Ethylhexyl)amino]-1-methyl-3-oxopropyl] butanedioate
Synonyms:
Butanedioic acid,1-[3-[(2-ethylhexyl)amino]-1-methyl-3-oxopropyl] ester;Butanedioic acid,mono[3-[(2-ethylhexyl)amino]-1-methyl-3-oxopropyl] ester;Succinic acid,monoester with N-(2-ethylhexyl)-3-hydroxybutyramide;1-[3-[(2-Ethylhexyl)amino]-1-methyl-3-oxopropyl] butanedioate;N-(2-Ethylhexyl)-3-hydroxybutyramide semisuccinate;N-(2-Ethylhexyl)-β-hydroxybutyramide semisuccinate;N-2-Ethylhexyl-β-oxybutyramide semisuccinate;M 2H;Butoctamide hydrogen succinate;Butoctamide succinate;M 2H (ester);Listomin S;BAHS

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Description

Butoctamide hydrogen succinate is a dicarboxylic acid monoester, a hemisuccinate and a secondary carboxamide.

1-[3-[(2-Ethylhexyl)amino]-1-methyl-3-oxopropyl] butanedioate Basic Attributes

Molecular Weight：

315.41

Exact Mass：

315.41

UNII：

F58251NT6M

DSSTox ID：

DTXSID4057716

Characteristics

PSA：

92.7

XLogP3：

3.34590

Density：

1.06g/cm3

Melting Point：

46.5 °C

Boiling Point：

514.6ºC at 760mmHg

Flash Point：

265ºC

Toxicity：

Oral-rat LD50: 12100 mg/kg; Oral-Mouse LD50: 5600 mg/kg

Flammability characteristics：

Thermal decomposition to emit toxic nitrogen oxide fumes

Safety Information

Storage features：

Warehouse ventilated, low temperature and dry

Toxicity

Toxicity class：

practically nontoxic

Drug Information

MeSH Entry Terms：

BUTHS

Computed Properties

Molecular Weight:315.40
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:13
Exact Mass:315.20457303
Monoisotopic Mass:315.20457303
Topological Polar Surface Area:92.7
Heavy Atom Count:22
Complexity:356
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[3-[(2-Ethylhexyl)amino]-1-methyl-3-oxopropyl] butanedioate

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Computed Properties
Learn More Other Chemicals

1-[3-[(2-Ethylhexyl)amino]-1-methyl-3-oxopropyl] butanedioate

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