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1187-33-3

Basic Information
CAS No.: 1187-33-3
Name: N,N-Dibutyl-1,3-propanediamine
Article Data: 4
Molecular Structure:
Molecular Structure of 1187-33-3 (N,N-Dibutyl-1,3-propanediamine)
Formula: C11H23 N O
Molecular Weight: 185.31
Synonyms: Propionamide,N,N-dibutyl- (6CI,7CI,8CI); Dibutylpropionamide; N,N-Dibutylpropionamide; NSC12063
Density: 0.863g/cm3
Boiling Point: 246.6°C at 760 mmHg
Flash Point: 92.5°C
Safety: Poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx.
PSA: 20.31000
LogP: 2.82520
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Chemistry

IUPAC Name: N,N-Dibutylpropanamide
Synonyms of N,N-Dibutylpropionamide (CAS NO.1187-33-3): Dibutylpropionamide ; Propanamide, N,N-dibutyl- ; Propionamide, N,N-dibutyl-
InChI: InChI=1/C11H23NO/c1-4-7-9-12(10-8-5-2)11(13)6-3/h4-10H2,1-3H3
InChIKey: XAROAZKXMDRYAF-UHFFFAOYAU
Std. InChI: InChI=1S/C11H23NO/c1-4-7-9-12(10-8-5-2)11(13)6-3/h4-10H2,1-3H3
Std. InChIKey: XAROAZKXMDRYAF-UHFFFAOYSA-N
CAS NO: 1187-33-3
Molecular Formula: C11H23NO
Molecular Weight: 185.3064
Molecular Structure :
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 7
Polar Surface Area: 20.31 Å2
Index of Refraction: 1.442
Molar Refractivity: 56.76 cm3
Molar Volume: 214.4 cm3
Surface Tension: 29.6 dyne/cm
Density: 0.863 g/cm3
Flash Point: 92.5 °C
Enthalpy of Vaporization: 48.38 kJ/mol
Boiling Point: 246.6 °C at 760 mmHg
Vapour Pressure: 0.0268 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 125mg/kg (125mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 5, Pg. 288, 1953.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intraperitoneal route. When N,N-Dibutylpropionamide (CAS NO.1187-33-3) is heated to decomposition, it emits toxic vapors of NOx.