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Name

N-(3-Aminopropyl)-1,4-butanediamine, phosphate

EINECS

256-447-9

CAS No.

49721-50-8

Density

g/cm³

PSA

390.85000

LogP

0.12460

Solubility

N/A

Melting Point

200-210 °C (dec.)

Formula

C₁₄H₄₇N₆O₁₂P₃

Boiling Point

246.6°Cat760mmHg

Molecular Weight

584.48

Flash Point

118.1°C

Transport Information

N/A

Appearance

N/A

Safety

Hazard Codes	Xi
Risk Statements	36/37/38
Safety Statements	26-36
WGK Germany	3
RTECS	EJ7020000
F	3-10

Risk Codes

36/37/38

Molecular Structure

Hazard Symbols

Synonyms

SPD phosphate;N-(3-Aminopropyl)-1,4-butanediamine, phosphate;Spermidine phosphate;4-azaniumylbutyl-(3-azaniumylpropyl)azanium; hydroxy-dioxido-oxo-phosphorane;1945-32-0;Bis(N-(3-ammoniopropyl)-N,N-butan-1,4-diyldiammonio) trihydrogen triphosphate;1,4-BUTANEDIAMINE, N-(3-AMINOPROPYL)-, PHOSPHATE (2:3);

N-(3-Aminopropyl)-1,4-butanediamine, phosphate Chemical Properties

IUPAC Name: : 4-Azaniumylbutyl(3-azaniumylpropyl)azanium; hydrogen phosphate
Synonyms of N-(3-Aminopropyl)-1,4-butanediamine, phosphate (CAS NO.49721-50-8): Spermidine phosphate ; 1,4-Butanediamine, N-(3-aminopropyl)-, phosphate (2:3) ; 1,4-Butanediamine, N-(3-aminopropyl)-, phosphate (2:3), hexahydrate ; Bis(N-(3-ammoniopropyl)-N,N'-butan-1,4-diyldiammonio) trihydrogen triphosphate
InChI: InChI=1/2C7H19N3.3H3O4P/c2*8-4-1-2-6-10-7-3-5-9;3*1-5(2,3)4/h2*10H,1-9H2;3*(H3,1,2,3,4)
InChIKey: RQFVSMCFDFGRDX-UHFFFAOYAC
Std. InChI: InChI=1S/2C7H19N3.3H3O4P/c2*8-4-1-2-6-10-7-3-5-9;3*1-5(2,3)4/h2*10H,1-9H2;3*(H3,1,2,3,4)
Std. InChIKey: RQFVSMCFDFGRDX-UHFFFAOYSA-N
CAS NO: 49721-50-8
Molecular Formula: C₁₄H₄₇N₆O₁₂P₃
Molecular Weight: 584.4773
Molecular Structure :
EINECS: 256-447-9
H bond acceptors: 3
H bond donors: 5
Freely Rotating Bonds: 9
Polar Surface Area: 0 Å²
Flash Point: 118.1 °C
Enthalpy of Vaporization: 48.37 kJ/mol
Boiling Point: 246.6 °C at 760 mmHg
Vapour Pressure: 0.0269 mmHg at 25°C
Melting Point: 200-210 °C (dec.)
Storage temp: -20°C

N-(3-Aminopropyl)-1,4-butanediamine, phosphate Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	468mg/kg (468mg/kg)	BEHAVIORAL: EXCITEMENT CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP	Life Sciences. Vol. 23, Pg. 2137, 1978.
mouse	LD50	intravenous	92mg/kg (92mg/kg)	BEHAVIORAL: EXCITEMENT CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP	Life Sciences. Vol. 23, Pg. 2137, 1978.

N-(3-Aminopropyl)-1,4-butanediamine, phosphate Safety Profile

Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38: N-(3-Aminopropyl)-1,4-butanediamine, phosphate (CAS NO.49721-50-8) is irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
WGK Germany: 3
RTECS: EJ7020000
F: 3-10
Poison by intravenous route. Moderately toxic by intraperitoneal route. See also PHOSPHATES. When N-(3-Aminopropyl)-1,4-butanediamine, phosphate (CAS NO.49721-50-8) is heated to decomposition, it emits very toxic fumes of PO_x and NO_x.

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