CAS No.34782-06-4,1-(3-CHLOROPROPYL)PIPERAZINE DIHYDROCHLORIDE HEMIHYDRATE 95 Suppliers

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Basic Information

CAS No.:

34782-06-4

Name:

1-(3-CHLOROPROPYL)PIPERAZINE DIHYDROCHLORIDE HEMIHYDRATE 95

Molecular Structure:

Formula:

C₇H₁₅ClN₂^.2(HCl)^.H₂O

Molecular Weight:

253.59756

Synonyms:

Piperazine,1-(3-chloropropyl)-, dihydrochloride (8CI,9CI);1-(3-Chloropropyl)piperazinedihydrochloride;1-(3-Chloropropyl)piperazinium dichloride;

EINECS:

252-211-4

Density:

g/cm³

Melting Point:

215°C (dec.)

Boiling Point:

245.5°Cat760mmHg

Flash Point:

102.3°C

Hazard Symbols:

Risk Codes:

36/37/38

Safety:

Hazard Codes	Xi
Risk Statements	36/37/38
Safety Statements	26-36/37/39
Hazard Note	Irritant

PSA:

24.50000

LogP:

2.32690

Country:
- China (Mainland)(12)
- United States(1)
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All

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Specification

The 1-(3-Chloropropyl)piperazine dihydrochloride monohydrate with cas registry number of 34782-06-4, has the systematic name of 1-(3-chloropropyl)piperazine dihydrochloride hydrate. And its IUPAC name is 1-(3-chloropropyl)piperazine hydrate dihydrochloride.

Physical properties about this chemical are: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.21; (4)ACD/LogD (pH 7.4): -1.01; (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: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 6.48 Å²; (13)Enthalpy of Vaporization: 48.26 kJ/mol; (14)Vapour Pressure: 0.0285 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 1-(3-Chloropropyl)piperazine dihydrochloride monohydrate irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.ClCCCN1CCNCC1.O;
(2)InChI: InChI=1/C7H15ClN2.2ClH.H2O/c8-2-1-5-10-6-3-9-4-7-10;;;/h9H,1-7H2;2*1H;1H2;
(3)InChIKey: SZJBSCDUZKUYQE-UHFFFAOYAG;
(4)Std. InChI: InChI=1S/C7H15ClN2.2ClH.H2O/c8-2-1-5-10-6-3-9-4-7-10;;;/h9H,1-7H2;2*1H;1H2;
(5)Std. InChIKey: SZJBSCDUZKUYQE-UHFFFAOYSA-N