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13078-82-5 molecular structure
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4-(2-aminoethyl)aniline

ChemBase ID: 10610
Molecular Formular: C8H12N2
Molecular Mass: 136.19428
Monoisotopic Mass: 136.10004839
SMILES and InChIs

SMILES:
c1c(ccc(c1)CCN)N
Canonical SMILES:
NCCc1ccc(cc1)N
InChI:
InChI=1S/C8H12N2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6,9-10H2
InChIKey:
LNPMZQXEPNWCMG-UHFFFAOYSA-N

Cite this record

CBID:10610 http://www.chembase.cn/molecule-10610.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(2-aminoethyl)aniline
IUPAC Traditional name
4-(2-aminoethyl)aniline
Synonyms
4-(2-Aminoethyl)aniline
4-(2-aminoethyl)aniline
4-Aminophenethylamine
4-(2-Aminoethyl)aniline
4-Aminophenethylamine
4-AMINO-β-PHENYLETHYLAMINE
2-(4-AMINOPHENYL)ETHYLAMINE
2-(4-Aminophenyl)ethylamine
4-氨基苯乙胺
4-(2-氨基)苯乙胺
2-(4-氨基苯基)乙胺
CAS Number
13078-82-5
13472-00-9
EC Number
236-739-2
MDL Number
MFCD00008194
Beilstein Number
1099913
PubChem SID
24846259
160973917
24847518
PubChem CID
72895

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.5172741  LogD (pH = 7.4) -1.8123807 
Log P 0.5587495  Molar Refractivity 43.9868 cm3
Polarizability 16.624899 Å3 Polar Surface Area 52.04 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
28-31 °C(lit.) expand Show data source
28-31°C expand Show data source
Boiling Point
103 °C/0.3 mmHg(lit.) expand Show data source
103°C/0.3mm expand Show data source
103°C/0.3mm expand Show data source
Flash Point
>110°C(230°F) expand Show data source
113 °C expand Show data source
235.4 °F expand Show data source
Density
1.034 g/mL at 25 °C(lit.) expand Show data source
1.057 expand Show data source
Refractive Index
1.5910 expand Show data source
n20/D 1.591(lit.) expand Show data source
Storage Warning
Air Sensitive expand Show data source
IRRITANT expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
X expand Show data source
UN Number
3259 expand Show data source
UN3259 expand Show data source
MSDS Link
Download expand Show data source
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
III expand Show data source
Risk Statements
20/21/22-34 expand Show data source
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H311-H332-H314-H318 expand Show data source
H314 expand Show data source
GHS Precautionary statements
P260-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501A expand Show data source
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 3259 8/PG 2 expand Show data source
Purity
≥97.0% (NT) expand Show data source
97% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
H2NC6H4CH2CH2NH2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05205976 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 123056 external link
Application
Reagent used in polycondensation reactions.1,2,3
Packaging
1, 5, 10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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