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Aminophenethylamine

CAT: 0572-TRC-A613980-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-A613980-1GSize:1 g
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CAS Number
13472-00-9
Synonyms
4-Aminobenzeneethanamine; (p-Aminophenyl)ethylamine; 2-(4-Aminophenyl)ethylamine; 2-(4-Aminophenyl)phenethylamine; 2-(p-Aminophenyl)ethylamine4-(2-Aminoethyl)aniline; 4-(2-Aminoethyl)benzenamine; 4-(2-Aminoethyl)phenylamine; 4-Amino-beta-phenethylamine; 4-Amino-beta-phenylethylamine; 4-Aminophenethylamine; 4-Aminophenylethylamine; NSC 299558; NSC 9060; p-(2-Aminoethyl)aniline; p-Aminophenethylamine; beta-(4-Aminophenyl)ethylamine; beta-(p-Aminophenyl)ethylamine
Hazard Statement
Harmful if swallowed; UN number: UN3259; Packing Group: II
Smiles
NCCc1ccc(N)cc1
Molecular Formula
C8H12N2
Molecular Weight
136.19
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-(4-Aminophenyl)ethylamine

used to prepare derivatives of reducing oligosaccharides; structure given in first source

CAS Number13472-00-9
PubChem CID72895
IUPAC Name4-(2-aminoethyl)aniline
Molecular FormulaC8H12N2
Molecular Weight136.19
XLogP-0.2
Topological Polar Surface Area52
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity85
SMILES
C1=CC(=CC=C1CCN)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
Chemical Structure
2D Structure
2D structure of 2-(4-Aminophenyl)ethylamine
CAS: 13472-00-9
CID: 72895
Formula: C8H12N2
MW: 136.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight136.19
XLogP3-0.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass136.100048391
Monoisotopic Mass136.100048391
Topological Polar Surface Area52 Ų
Heavy Atom Count10
Formal Charge0
Complexity85.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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