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333-93-7

Basic Information
CAS No.: 333-93-7
Name: 1,4-Diaminobutane dihydrochloride
Article Data: 10
Cas Database
Molecular Structure:
Molecular Structure of 333-93-7 (1,4-Diaminobutane dihydrochloride)
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: IrritantXi, HarmfulXn
Risk Codes: 36/37/38-20/21/22
Safety: 26-36-37/39
Transport Information: N/A
PSA: 52.04000
LogP: 2.68860
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  • Putrescine Dihydrochloride

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  • Putrescine Dihydrochloride

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    333-93-7

    Putrescine Dihydrochloride

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  • 1,4-DiaMinobutane dihydrochloride

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Consensus Reports

Reported in EPA TSCA Inventory.

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.