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934-98-5 molecular structure
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2-(4-methylpiperazin-1-yl)ethan-1-amine

ChemBase ID: 11549
Molecular Formular: C7H17N3
Molecular Mass: 143.22998
Monoisotopic Mass: 143.14224756
SMILES and InChIs

SMILES:
N1(CCN(CC1)CCN)C
Canonical SMILES:
NCCN1CCN(CC1)C
InChI:
InChI=1S/C7H17N3/c1-9-4-6-10(3-2-8)7-5-9/h2-8H2,1H3
InChIKey:
GOWUDHPKGOIDIX-UHFFFAOYSA-N

Cite this record

CBID:11549 http://www.chembase.cn/molecule-11549.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-methylpiperazin-1-yl)ethan-1-amine
IUPAC Traditional name
2-(4-methylpiperazin-1-yl)ethanamine
Synonyms
[2-(4-methylpiperazin-1-yl)ethyl]amine trihydrochloride
2-(4-Methyl-piperazin-1-yl)-ethylamine
2-(4-methylpiperazin-1-yl)ethanamine
2-(4-Methyl-1-piperazinyl)ethylamine
1-(2-Aminoethyl)-4-methylpiperazine
2-(4-Methylpiperazin-1-yl)ethylamine
1-Amino-2-(4-methylpiperazin-1-yl)ethane
1-(2-Aminoethyl)-4-methylpiperazine
1-(2-氨乙基)-4-甲基哌嗪
CAS Number
934-98-5
EC Number
213-296-3
MDL Number
MFCD03701701
PubChem SID
160974856
PubChem CID
70284

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -6.3411307  LogD (pH = 7.4) -3.55086 
Log P -0.75969476  Molar Refractivity 43.988 cm3
Polarizability 17.48637 Å3 Polar Surface Area 32.5 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
112°C/30mm expand Show data source
Hydrophobicity(logP)
-1.221 expand Show data source
Storage Warning
Air Sensitive expand Show data source
AIR SENSITIVE, CORROSIVE expand Show data source
Irritant expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN2735 expand Show data source
MSDS Link
Download expand Show data source
Hazard Class
8 expand Show data source
Packing Group
III expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Hazard statements
H314-H318 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
97% expand Show data source
97+% expand Show data source
98% expand Show data source
Salt Data
3 HCl expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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