Productschevron_right
Amineschevron_right
2454-37-7

2454-37-7

1-(3-Aminophenyl)ethanol

Synonyms
  • 1-(3-Aminophenyl)ethanol
  • 2454-37-7
  • 3-(1-Hydroxyethyl)aniline
  • m-(1-Hydroxyethyl)aniline
  • Benzyl alcohol, m-amino-alpha-methyl-
Molecular Formula
C8H11NO

Get a free no-obligation quote

We typically respond within 30 minutes during business hours!

call
email
science

Identifying information of the product such as name, CAS number, structure or description

description

Approx. quantity, purity, specifications, monthly order or one-off etc

Molecular Formula
C8H11NO
Iupac Name
1-(3-aminophenyl)ethanol
Dtp Nci Cas Number
2454-37-7
Canonical Smiles
CC(C1=CC(=CC=C1)N)O
StdInChi
InChI=1S/C8H11NO/c1-6(10)7-3-2-4-8(9)5-7/h2-6,10H,9H2,1H3
StdInChiKey
QPKNDHZQPGMLCJ-UHFFFAOYSA-N
Appearance
Gray Powder
Molecular Weight
137.18
Exact Mass
137.084063974
Average Mass
137.179 Da
Monoisotopic Mass
137.084063974
Boiling Point
285.0±15.0 °C at 760 mmHg
Experimental Boiling Point
217 °C
Experimental Melting Point
66-69 °C
Flash Point
126.1±20.4 °C
Density
1.1±0.1 g/cm3
Vapour Pressure
0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization
55.3±3.0 kJ/mol
Refractive Index
1.592
Molar Refractivity
41.6±0.3 cm3
Polar Surface Area
46.2 Ų
Polarizability
16.5±0.5 10-24cm3
Surface Tension
49.1±3.0 dyne/cm
Molar Volume
122.8±3.0 cm3
Experimental Logp
-0.006
Acd LogP
0.10
Acd LogD Ph55
0.17
Acd Bcf Ph55
1.00
Acd Koc Ph55
28.20
Acd LogD Ph74
0.21
Acd Bcf Ph74
1.00
Acd Koc Ph74
30.83
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Heavy Atom Count
10
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently Bonded Unit Count
1
H Bond Acceptors
2
H Bond Donors
3
Freely Rotating Bonds
1
Rule of 5 Violations
0
Formal Charge
0
Complexity
105
Compound is Canonicalized
Yes

Related Article(s)

Aryls: Structure, nomenclature, types and applicationsAug 3, 2022

Aryls: Structure, nomenclature, types and applications

An aryl group is the name given to the functional group that is produced when an aromatic ring complex is reduced to its simplest form by removing one hydrogen atom. The aromatic ring will almost always be constituted by a hydrocarbon in most instances.

Alcohols: Classification, sources, commercially significant types and usesJul 31, 2022

Alcohols: Classification, sources, commercially significant types and uses

Alcohols are chemical substances that include an aliphatic carbon atom with a hydroxyl (OH) functional group attached. Because all alcohols share OH, we usually write alcohols as the general formula ROH, where R is an alkyl group.

Amines: Synthesis, classification, biochemical significance, applications and hazardsJul 18, 2022

Amines: Synthesis, classification, biochemical significance, applications and hazards

Amines are the compounds that have nitrogen atoms with a lone pair. They are either gaseous when they are at room temperature or vaporized when they are heated quickly. They have a fishy smell at low molecular weight.