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108-15-6 molecular structure
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(2-aminopropyl)dimethylamine

ChemBase ID: 10706
Molecular Formular: C5H14N2
Molecular Mass: 102.17806
Monoisotopic Mass: 102.11569846
SMILES and InChIs

SMILES:
N(CC(C)N)(C)C
Canonical SMILES:
CN(CC(N)C)C
InChI:
InChI=1S/C5H14N2/c1-5(6)4-7(2)3/h5H,4,6H2,1-3H3
InChIKey:
RRQHLOZQFPWDCA-UHFFFAOYSA-N

Cite this record

CBID:10706 http://www.chembase.cn/molecule-10706.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-aminopropyl)dimethylamine
IUPAC Traditional name
(2-aminopropyl)dimethylamine
Synonyms
1-(Dimethylamino)isopropylamine
N′,N′-Dimethylpropylenediamine
1-Dimethylamino-2-propylamine
N′,N′-二甲基丙二胺
1-二甲氨基-2-丙胺
CAS Number
108-15-6
EC Number
203-555-9
MDL Number
MFCD00014812
Beilstein Number
969185
PubChem SID
24864535
24881205
160974013
PubChem CID
99027

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 99027 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.9487767  LogD (pH = 7.4) -2.7205257 
Log P -0.19023933  Molar Refractivity 32.3567 cm3
Polarizability 13.012255 Å3 Polar Surface Area 29.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
113 °C(lit.) expand Show data source
113°C-115°C expand Show data source
Flash Point
35 °C expand Show data source
95 °F expand Show data source
Density
0.792 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.421 expand Show data source
n20/D 1.421(lit.) expand Show data source
Storage Warning
CORROSIVE expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
UN Number
2734 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-22-34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H226-H302-H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2734 8/PG 2 expand Show data source
Purity
≥97.0% (GC) expand Show data source
97% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Linear Formula
CH3CH(NH2)CH2N(CH3)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 588180 external link
Packaging
10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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