4-CAB

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Systematic / IUPAC Name: 1-(4-Chlorophenyl)-2-butanamine

ID: Reference5457

Other Names: 1-(4-Chlorophenyl)-2-aminobutane;
1-(4-Chlorophenyl)butan-2-amine;
4-Chlorophenylisobutylamine;
Benzeneethanamine, 4-chloro-α-ethyl-;
Benzeneethanamine,4-chloro-a-ethyl- ; more

Formula: C10H14ClN

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

4-CAB mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 8/8/2016 7:53:20 AM
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Identificators

InChI InChI=1S/C10H14ClN/c1-2-10(12)7-8-3-5-9(11)6-4-8/h3-6,10H,2,7,12H2,1H3
InChI Key BDZUAWTZJXBMLX-UHFFFAOYSA-N
Canonical SMILES CCC(CC1=CC=C(C=C1)Cl)N
CAS
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Other Names 1-(4-Chlorophenyl)-2-aminobutane;
1-(4-Chlorophenyl)butan-2-amine;
4-Chlorophenylisobutylamine;
Benzeneethanamine, 4-chloro-α-ethyl-;
Benzeneethanamine,4-chloro-a-ethyl-;
Phenethylamine, p-chloro-α-ethyl-;
4-Chloro-α-ethylphenethylamine ;
AEPCA

In Other Databases

PubChem 150989
ChemIDPlus 002275641
Wikipedia 4-Chlorophenylisobutylamine
ChemSpider 133083