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302-49-8

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Basic Information
CAS No.: 302-49-8
Name: Uredepa
Article Data: 5
Molecular Structure:
Molecular Structure of 302-49-8 (Uredepa)
Formula: C7H14 N3 O3 P
Molecular Weight: 219.18
Synonyms: Carbamicacid, [bis(1-aziridinyl)phosphinyl]-, ethyl ester (6CI,7CI,8CI,9CI); AB 100;Avinar; Bis(ethylenimido)phosphorylurethan; EthylN-(di-1-aziridinylphosphinyl)carbamate; Ethyl[bis(1-aziridinyl)phosphinyl]carbamate; Ethyl[di(1-aziridinyl)phosphinyl]carbamate; NSC 37095; Uredepa
Density: 1.39g/cm3
Melting Point: 88-90°
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of POx and NOx. See also CARBAMATES.
PSA: 71.23000
LogP: 0.73850
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Chemistry

IUPAC Name: ethyl N-[bis(aziridin-1-yl)phosphoryl]carbamate 
Empirical Formula: C7H14N3O3P
Molecular Weight: 219.1781g/mol 
Index of Refraction: 1.552
Molar Refractivity: 50.38 cm3
Molar Volume: 157.4 cm3
Polarizability: 19.97×10-24cm3
Surface Tension: 55 dyne/cm
Density: 1.39 g/cm3
Flash Point: °C
Enthalpy of Vaporization: kJ/mol
Boiling Point: °C at 760 mmHg
Vapour Pressure: mmHg at 25°C 
Classification Code: Antineoplastic
Canonical SMILES: CCOC(=O)NP(=O)(N1CC1)N2CC2
InChI: InChI=1S/C7H14N3O3P/c1-2-13-7(11)8-14(12,9-3-4-9)10-5-6-10/h2-6H2,1H3,(H,8,11,12)
InChIKey: SPDZFJLQFWSJGA-UHFFFAOYSA-N
Structure of  Ethyl (di(1-aziridinyl)phosphinyl)carbamate (CAS NO.302-49-8):

Toxicity Data With Reference

1.    

ipr-rat LD50:47 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 8 (1965),167.
2.    

ipr-mus LD50:50 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 8 (1965),167.

Safety Profile

Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of POx and NOx. See also CARBAMATES.

Specification

 Ethyl (di(1-aziridinyl)phosphinyl)carbamate , its cas register number is 302-49-8. It also can be called (Bis(1-aziridinyl)phosphinyl)carbamic acid, ethyl ester ; 4-20-00-00049 (Beilstein Handbook Reference) ; AB-100 ; AI3-50450 ; Avinar ;
 BRN 0210038 ; Bis(ethylenimido)phosphorylurethan ; Carbamic acid, (bis(1-aziridinyl)phosphinyl)-, ethyl ester ; Ethyl (bis(1-aziridinyl)phosphinyl)carbamate ; Ethyl N-(di-1-aziridinylphosphinyl)carbamate ; NSC 37095 ; Uredepa ; Uredepum .