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2-(Cyclopentylamino)ethan-1-ol

HCID 14187635
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
2842-39-9
Standard SMILES
OCCNC1CCCC1
InChIKey
DWEWXGZAFBYSSR-UHFFFAOYSA-N
Molecular formula
C7H15NO
Average molar mass
129.2 g/mol
Monoisotopic mass
129.1153641

Names & identifiers

Preferred name
2-(Cyclopentylamino)ethan-1-ol
IUPAC
2-(cyclopentylamino)ethanol
English name
2-CYCLOPENTYLAMINO-ETHANOL
Molecular formula
C7H15NO
Molecular weight
129.2

Names & synonyms

2-(cyclopentylamino)ethan-1-ol2842-39-92-(cyclopentylamino)ethanol2-Cyclopentylamino-ethanolMFCD034237802-cyclopentylaminoethanolEthanol,2-(cyclopentylamino)-2-(Cyclopentylamino)-ethanolSCHEMBL1484842SCHEMBL3431098CHEMBL4587955DTXSID10557151
Show more names
Ethanol, 2-(cyclopentylamino)-
DWEWXGZAFBYSSR-UHFFFAOYSA-NAKOS000252841N-cyclopentyl-N-(2-hydroxyethyl)amineSB84509DB-086633EN300-55384H37254F496395

Database identifiers

CAS
2842-39-9
PubChem CID
14187635
DTXSID
DTXSID10557151
ChEMBL
CHEMBL4587955
Nikkaji
J3.209.349C

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
32.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
9
Formal charge
0
Complexity
69.3

Physicochemical properties

Boiling point
114.5 · 114.5-115.5 °C(Press: 10 Torr)
Density
0.9942 g/cm3 · 0.9942 g/cm3
pka
14.81 · 14.81±0.10(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338
Safety Statements
24 · 24/25
HS Code
29221990 · 29221990

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

hs_code
29221990
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
24/25
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

MonoethanolamineCyclopentanone

Suppliers

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Related reactions

11 records
New reaction record
HRID 86698 reaction equation
HRID 86698As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 137169 reaction equation
HRID 137169As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 276323 reaction equation
HRID 276323As reactantuspto-grants-2002_03
HRID 276325 reaction equation
HRID 276325As reactantuspto-grants-2002_03
HRID 276327 reaction equation
HRID 276327As reactantuspto-grants-2002_03
HRID 639993 reaction equation
HRID 639993As productuspto-grants-2010_04
HRID 708034 reaction equation
HRID 708034As reactantuspto-grants-2015_11
HRID 1190490 reaction equation
HRID 1190490As reactantuspto-grants-2014_03
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Compound notes

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