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| CAS No.: | 333-93-7 |
|---|---|
| Name: | 1,4-Diaminobutane dihydrochloride |
| Article Data: | 10 |
| Molecular Structure: | |
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|
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| Formula: | C4H14Cl2N2 |
| Molecular Weight: | 161.075 |
| Synonyms: | 1,4-Butanediamine,dihydrochloride (8CI,9CI);Putrescinedihydrochloride;Tetramethylenediaminedihydrochloride; |
| EINECS: | 206-375-9 |
| Density: | 1.472g/cm3 |
| Melting Point: | 280 °C (dec.)(lit.) |
| Boiling Point: | 159 °C at 760 mmHg |
| Flash Point: | 51.7 °C |
| Solubility: | H2O: 100 mg/mL |
| Appearance: | white powder |
| Hazard Symbols: |
 Xi,  Xn
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 26-36-37/39 |
| PSA: | 52.04000 |
| LogP: | 2.68860 |
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Specification
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. |