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333-93-7 molecular structure
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butane-1,4-diamine dihydrochloride

ChemBase ID: 69817
Molecular Formular: C4H14Cl2N2
Molecular Mass: 161.07336
Monoisotopic Mass: 160.05340382
SMILES and InChIs

SMILES:
C(CCCN)N.Cl.Cl
Canonical SMILES:
NCCCCN.Cl.Cl
InChI:
InChI=1S/C4H12N2.2ClH/c5-3-1-2-4-6;;/h1-6H2;2*1H
InChIKey:
XXWCODXIQWIHQN-UHFFFAOYSA-N

Cite this record

CBID:69817 http://www.chembase.cn/molecule-69817.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
butane-1,4-diamine dihydrochloride
IUPAC Traditional name
putrescine dihydrochloride
Synonyms
1,4-Butanediamine dihydrochloride
1,4-Diaminobutane dihydrochloride
Tetramethylenediamine dihydrochloride
Putrescine dihydrochloride
1,4-Diaminobutane dihydrochloride
1,4-Diaminobutane dihydrochloride
PUTRESCINE DIHYDROCHLORIDE
Putrescine dihydrochloride
腐胺 二盐酸盐
1,4-二氨基丁烷 二盐酸盐
1,4-丁二胺 二盐酸盐
1,4-二氨基丁烷 二盐酸盐
四亚甲基二胺 二盐酸盐
腐胺 二盐酸盐
CAS Number
333-93-7
EC Number
206-375-9
MDL Number
MFCD00012526
Beilstein Number
3906680
Merck Index
147947
PubChem SID
24898707
162035542
24278650
24898727
PubChem CID
9532

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -6.8927712  LogD (pH = 7.4) -6.0462546 
Log P -0.84512025  Molar Refractivity 27.3786 cm3
Polarizability 11.1656475 Å3 Polar Surface Area 52.04 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
cell culture medium: soluble0.16 mg/mL expand Show data source
H2O: soluble1.0 g/10 mL, clear, colorless expand Show data source
H2O: soluble100 mg/mL expand Show data source
Apperance
lyophilized powder expand Show data source
powder expand Show data source
Melting Point
280 °C (dec.)(lit.) expand Show data source
ca 280°C dec. expand Show data source
Storage Warning
Hygroscopic expand Show data source
IRRITANT expand Show data source
RTECS
EJ7280000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
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 expand Show data source
26-37 expand Show data source
TSCA Listed
false expand Show data source
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
Storage Temperature
2-8°C expand Show data source
Purity
≥97% (TLC) expand Show data source
≥98% (TLC) expand Show data source
≥98.0% (area) expand Show data source
≥99.0% (AT) expand Show data source
95+% expand Show data source
97% expand Show data source
99% expand Show data source
99.0-101.0% (AT) expand Show data source
99.0-101.0% (T) expand Show data source
Grade
purum expand Show data source
Compostion
carbon, 29.53-30.13% CHN expand Show data source
hydrogen, 8.46-9.06% CHN expand Show data source
nitrogen, 17.09-17.69% CHN expand Show data source
Certificate of Analysis
Download expand Show data source
Suitability
corresponds for identity (NMR) expand Show data source
suitable for cell culture expand Show data source
Sterility
γ-irradiated expand Show data source
Quality Level
ELITE expand Show data source
GMP expand Show data source
Linear Formula
NH2(CH2)4NH2 · 2HCl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05217611 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - P6024 external link
Biochem/physiol Actions
结合到 NMDA 受体的聚胺调控位点并增强 NMDA 感应电流;亚精胺的前体。
Sigma Aldrich - P7505 external link
Biochem/physiol Actions
结合到 NMDA 受体的聚胺调控位点并增强 NMDA 感应电流;亚精胺的前体。
Sigma Aldrich - P136 external link
Biochem/physiol Actions
结合到 NMDA 受体的聚胺调控位点并增强 NMDA 感应电流;亚精胺的前体。
Sigma Aldrich - P5780 external link
Biochem/physiol Actions
结合到 NMDA 受体的聚胺调控位点并增强 NMDA 感应电流;亚精胺的前体。
Sigma Aldrich - 234001 external link
Biochem/physiol Actions
Binds to the polyamine modulatory site of the NMDA receptor and potentiates NMDA-induced currents; precursor of spermidine.
Sigma Aldrich - 32810 external link
Biochem/physiol Actions
Binds to the polyamine modulatory site of the NMDA receptor and potentiates NMDA-induced currents; precursor of spermidine.
Sigma Aldrich - 07534 external link
Analysis Note
white powder or powder with lumps
Packaging
larger quantities on request
Biochem/physiol Actions
Binds to the polyamine modulatory site of the NMDA receptor and potentiates NMDA-induced currents; precursor of spermidine.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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