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16369-21-4 molecular structure
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2-(propylamino)ethan-1-ol

ChemBase ID: 150289
Molecular Formular: C5H13NO
Molecular Mass: 103.16282
Monoisotopic Mass: 103.09971404
SMILES and InChIs

SMILES:
CCCNCCO
Canonical SMILES:
CCCNCCO
InChI:
InChI=1S/C5H13NO/c1-2-3-6-4-5-7/h6-7H,2-5H2,1H3
InChIKey:
BCLSJHWBDUYDTR-UHFFFAOYSA-N

Cite this record

CBID:150289 http://www.chembase.cn/molecule-150289.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(propylamino)ethan-1-ol
IUPAC Traditional name
ethanol, 2-(propylamino)-
Synonyms
2-(Propylamino)ethanol
N-Propylethanolamine
2-(Propylamino)ethanol
N-丙基乙醇胺
2-(丙氨基)乙醇
CAS Number
16369-21-4
EC Number
240-426-6
MDL Number
MFCD00002844
PubChem SID
162244450
24870647
PubChem CID
85382

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 85382 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.602246  H Acceptors
H Donor LogD (pH = 5.5) -3.222757 
LogD (pH = 7.4) -2.5219543  Log P -0.003650134 
Molar Refractivity 30.2583 cm3 Polarizability 12.084012 Å3
Polar Surface Area 32.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
182 °C(lit.) expand Show data source
Flash Point
172.4 °F expand Show data source
78 °C expand Show data source
Density
0.9 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.4415(lit.) expand Show data source
RTECS
KM2885000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2735 expand Show data source
MSDS Link
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
20/21/22-34 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-H312-H314-H332 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 2735 8/PG 2 expand Show data source
Purity
≥99% expand Show data source
95+% expand Show data source
Linear Formula
CH3CH2CH2NHCH2CH2OH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 470201 external link
Packaging
25 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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