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31044-82-3(freebase) molecular structure
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2-(aminomethyl)-2-methylpropane-1,3-diamine trihydrochloride

ChemBase ID: 141664
Molecular Formular: C5H18Cl3N3
Molecular Mass: 226.57552
Monoisotopic Mass: 225.05663063
SMILES and InChIs

SMILES:
CC(CN)(CN)CN.Cl.Cl.Cl
Canonical SMILES:
NCC(CN)(CN)C.Cl.Cl.Cl
InChI:
InChI=1S/C5H15N3.3ClH/c1-5(2-6,3-7)4-8;;;/h2-4,6-8H2,1H3;3*1H
InChIKey:
GBKDQELEERCHSD-UHFFFAOYSA-N

Cite this record

CBID:141664 http://www.chembase.cn/molecule-141664.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(aminomethyl)-2-methylpropane-1,3-diamine trihydrochloride
IUPAC Traditional name
2-(aminomethyl)-2-methylpropane-1,3-diamine trihydrochloride
Synonyms
1,1,1-Tris(aminomethyl)ethane trihydrochloride
Ethylidintris(methylamine) trihydrochloride
2-(Aminomethyl)-2-methyl-1,3-propanediamine trihydrochloride
1,1,1-三(氨基甲基)乙烷 三盐酸盐
三(甲胺)乙烷 三盐酸盐
2-(氨甲基)-2-甲基-1,3-丙二胺 三盐酸盐
CAS Number
31044-82-3(freebase)
MDL Number
MFCD11045380
PubChem SID
162235898
PubChem CID
53411811

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
690023 external link Add to cart Please log in.
Data Source Data ID
PubChem 53411811 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -9.162829  LogD (pH = 7.4) -5.9032955 
Log P -1.7784607  Molar Refractivity 34.9255 cm3
Polarizability 14.532438 Å3 Polar Surface Area 78.06 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
270 °C (dec.)(lit.) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
Purity
≥95.0% (NT) expand Show data source
Empirical Formula (Hill Notation)
C5H15N3 · 3HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 690023 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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