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119-48-2

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Basic Information
CAS No.: 119-48-2
Name: N,N'-ethylenebis(N-butylmorpholine-4-carboxamide)
Molecular Structure:
Molecular Structure of 119-48-2 (N,N'-ethylenebis(N-butylmorpholine-4-carboxamide))
Formula: C20H38 N4 O4
Molecular Weight: 398.546
Synonyms: 4-Morpholinecarboxamide,N,N'-ethylenebis[N-butyl- (6CI,7CI,8CI); 1064 TH; Amipan T; Atmurin; Dimorpholamine;N,N'-Ethylenebis[N-butyl-4-morpholinecarboxamide]; Prontodin; Respiron; TH1064; Theraleptique; Therapline; Theraptique
Density: 1.114g/cm3
Melting Point: 41-42°
Boiling Point: 571.3°Cat760mmHg
Flash Point: 299.3°C
Safety: Poison by ingestion, intraperitoneal, intravenous, intramuscular, and subcutaneous routes. An analeptic agent (stimulant). When heated to decomposition it emits toxic fumes of NOx. See also AMINES.
PSA: 65.56000
LogP: 1.97080
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Chemistry

Molecule structure of Dimorpholamine (CAS NO.119-48-2) :

IUPAC Name: N-butyl-N-[2-[butyl(morpholine-4-carbonyl)amino]ethyl]morpholine-4-carboxamide 
Molecular Weight: 398.54012 g/mol
Molecular Formula: C20H38N4O4 
Density: 1.114 g/cm3 
Melting Point: 41.5 deg C
Boiling Point: 571.3 °C at 760 mmHg 
Flash Point: 299.3 °C
Index of Refraction: 1.516
Molar Refractivity: 108.1 cm3
Molar Volume: 357.6 cm3
Polarizability: 42.85*10-24 cm3
Surface Tension: 45.4 dyne/cm 
Enthalpy of Vaporization: 85.66 kJ/mol 
log P (octanol-water): 1.430
Water Solubility: 5.00E+05 mg/L
Atmospheric OH Rate Constant: 1.10E-10 cm3/molecule-sec
XLogP3-AA: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 9
Exact Mass: 398.289306
MonoIsotopic Mass: 398.289306
Topological Polar Surface Area: 65.6
Heavy Atom Count: 28
Complexity: 423
Canonical SMILES: CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N2CCOCC2
InChI: InChI=1S/C20H38N4O4/c1-3-5-7-21(19(25)23-11-15-27-16-12-23)9-10-22(8-6-4-2)20(26)24-13-17-28-18-14-24/h3-18H2,1-2H3
InChIKey: HZTMGWSBSDLALI-UHFFFAOYSA-N
EINECS of Dimorpholamine (CAS NO.119-48-2) : 204-328-7

Toxicity Data With Reference

1.    

orl-rat LD50:270 mg/kg

     NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),347.
2.    

scu-rat LD50:190 mg/kg

     NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),347.
3.    

ivn-rat LD50:24 mg/kg

     NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),347.
4.    

ims-rat LD50:122 mg/kg

     NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),347.
5.    

orl-mus LD50:150 mg/kg

     MEIEDD    Merck Index. 10 (1983),476.
6.    

ipr-mus LD50:80 mg/kg

     AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 163 (1966),133.
7.    

scu-mus LD50:104 mg/kg

     AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 163 (1966),133.
8.    

ivn-mus LD50:42,200 µg/kg

     NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),347.

Safety Profile

Poison by ingestion, intraperitoneal, intravenous, intramuscular, and subcutaneous routes. An analeptic agent (stimulant). When heated to decomposition it emits toxic fumes of NOx. See also AMINES.

Specification

 Dimorpholamine (CAS NO.119-48-2) is also called 1064 TH ; 4-27-00-00298 (Beilstein Handbook Reference) ; Amipan T ; Atmurin ; BRN 0052277 ; N,N'-1,2-Ethanediylbis(N-butyl-4-morpholinecarboxamide) ; N,N'-Di-n-utylethylenediamine-N,N'-dicarboxybismorpholide ; N,N'-Dibutyl-N,N'-dicarboxyethylene diaminemorpholide ; N,N'-Dibutyl-N,N'-dicarboxymorpholide-ethylenediamine ; N,N'-Ethylenebis(N-butyl-4-morpholinecarboxamide) ; Prontodin ; Theraleptique ; Theraptique ; UNII-8YL4JT0L91 .