1,4-Diaminobutane dihydrochloride

Reported in EPA TSCA Inventory.

The Putrescine dihydrochloride, with the CAS registry number 333-93-7, is also known as 1,4-Butanediamine, hydrochloride (1:2). It belongs to the product category of Heterocyclic Compounds. Its EINECS registry number is 206-375-9. This chemical's molecular formula is C₄H₁₄Cl₂N₂ and molecular weight is 161.07. Its IUPAC name is called butane-1,4-diamine dihydrochloride. What's more, this chemical's classification code is Mutation data.

Physical properties of Putrescine dihydrochloride: (1)ACD/LogP: -0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.82; (4)ACD/LogD (pH 7.4): -4.75; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Flash Point: 51.7 °C; (13)Enthalpy of Vaporization: 39.57 kJ/mol; (14)Boiling Point: 159 °C at 760 mmHg; (15)Vapour Pressure: 2.55 mmHg at 25°C.

Preparation of Putrescine dihydrochloride: this chemical can be prepared by hydroxylamine hydrochloride and pyrrole. This reaction will get the intermediate product succinic oxime. Then after reduction will gain succinic amine.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing. Finally, you must avoid contacting it with skin and eyes.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(CCN)CN.Cl.Cl
(2)InChI: InChI=1S/C4H12N2.2ClH/c5-3-1-2-4-6;;/h1-6H2;2*1H
(3)InChIKey: XXWCODXIQWIHQN-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD30	oral	> 1gm/kg (1000mg/kg)		Agents and Actions, A Swiss Journal of Pharmacology. Vol. 14, Pg. 228, 1984.
mouse	LD50	intraperitoneal	1400mg/kg (1400mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Proceedings of the Western Pharmacology Society. Vol. 29, Pg. 141, 1986.
mouse	LD50	intravenous	510mg/kg (510mg/kg)	BEHAVIORAL: ANTIPSYCHOTIC LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Oyo Yakuri. Pharmacometrics. Vol. 25, Pg. 489, 1983.
mouse	LD50	subcutaneous	1880mg/kg (1880mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)	Oyo Yakuri. Pharmacometrics. Vol. 25, Pg. 489, 1983.
rat	LD50	intravenous	760mg/kg (760mg/kg)	BEHAVIORAL: ANTIPSYCHOTIC LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Oyo Yakuri. Pharmacometrics. Vol. 25, Pg. 489, 1983.
rat	LD50	subcutaneous	1625mg/kg (1625mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)	Oyo Yakuri. Pharmacometrics. Vol. 25, Pg. 489, 1983.