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133525-05-0 molecular structure
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piperazine-2-carboxylic acid dihydrochloride

ChemBase ID: 73902
Molecular Formular: C5H12Cl2N2O2
Molecular Mass: 203.06698
Monoisotopic Mass: 202.02758299
SMILES and InChIs

SMILES:
N1CC(NCC1)C(=O)O.Cl.Cl
Canonical SMILES:
OC(=O)C1NCCNC1.Cl.Cl
InChI:
InChI=1S/C5H10N2O2.2ClH/c8-5(9)4-3-6-1-2-7-4;;/h4,6-7H,1-3H2,(H,8,9);2*1H
InChIKey:
WNSDZBQLMGKPQS-UHFFFAOYSA-N

Cite this record

CBID:73902 http://www.chembase.cn/molecule-73902.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
piperazine-2-carboxylic acid dihydrochloride
IUPAC Traditional name
piperazine-2-carboxylic acid dihydrochloride
Synonyms
(±)-Piperazine-2-carboxylic acid dihydrochloride
Piperazine-2-carboxylic acid dihydrochloride
2-piperazinecarboxylic acid dihydrochloride
Piperazine-2-carboxylic acid dihydrochloride
Piperazine-2-carboxylic acid dihydrochloride 98%
(±)-Piperazine-2-carboxylic acid dihydrochloride
(±)-哌嗪-2-羧酸 二盐酸盐
哌嗪-2-羧酸 二盐酸盐
(+/-)-哌嗪-2-羧酸二盐酸
(±)-哌嗪-2-羧酸 二盐酸盐
CAS Number
133525-05-0
3022-15-9
MDL Number
MFCD00044803
PubChem SID
24898238
24871999
162038821
PubChem CID
2723757

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.314084  H Acceptors
H Donor LogD (pH = 5.5) -3.6862261 
LogD (pH = 7.4) -3.5154152  Log P -3.5175667 
Molar Refractivity 31.2787 cm3 Polarizability 12.82288 Å3
Polar Surface Area 61.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
259 - 261°C expand Show data source
265 °C (dec.)(lit.) expand Show data source
266-269°C expand Show data source
270-273°C expand Show data source
Hydrophobicity(logP)
0.0 expand Show data source
Storage Warning
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95% expand Show data source
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C5H10N2O2 · 2HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - P1710 external link
Application
用于合成神经活性化合物的中间体
Sigma Aldrich - 484903 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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