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Details

Stereochemistry ACHIRAL
Molecular Formula C9H11Cl
Molecular Weight 154.637
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3-CHLOROPROPYL)BENZENE

SMILES

ClCCCC1=CC=CC=C1

InChI

InChIKey=XZBXAYCCBFTQHH-UHFFFAOYSA-N
InChI=1S/C9H11Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2

HIDE SMILES / InChI
Molecular Formula C9H11Cl
Molecular Weight 154.637
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Tue Apr 01 19:04:12 GMT 2025
Edited
by admin
on Tue Apr 01 19:04:12 GMT 2025
Record UNII
E2L2KN77K8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-CHLORO-3-PHENYLPROPANE
Preferred Name English
(3-CHLOROPROPYL)BENZENE
Systematic Name English
.GAMMA.-CHLOROPROPYLBENZENE
Common Name English
NSC-16939
Code English
3-PHENYL-1-CHLOROPROPANE
Systematic Name English
BENZENE, (3-CHLOROPROPYL)-
Systematic Name English
.GAMMA.-PHENYLPROPYL CHLORIDE
Common Name English
ALVERINE CITRATE IMPURITY A [EP IMPURITY]
Common Name English
3-CHLORO-1-PHENYLPROPANE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10146206
Created by admin on Tue Apr 01 19:04:12 GMT 2025 , Edited by admin on Tue Apr 01 19:04:12 GMT 2025
PRIMARY
CAS
104-52-9
Created by admin on Tue Apr 01 19:04:12 GMT 2025 , Edited by admin on Tue Apr 01 19:04:12 GMT 2025
PRIMARY
PUBCHEM
7706
Created by admin on Tue Apr 01 19:04:12 GMT 2025 , Edited by admin on Tue Apr 01 19:04:12 GMT 2025
PRIMARY
NSC
16939
Created by admin on Tue Apr 01 19:04:12 GMT 2025 , Edited by admin on Tue Apr 01 19:04:12 GMT 2025
PRIMARY
ECHA (EC/EINECS)
203-210-2
Created by admin on Tue Apr 01 19:04:12 GMT 2025 , Edited by admin on Tue Apr 01 19:04:12 GMT 2025
PRIMARY
FDA UNII
E2L2KN77K8
Created by admin on Tue Apr 01 19:04:12 GMT 2025 , Edited by admin on Tue Apr 01 19:04:12 GMT 2025
PRIMARY
Related Record Type Details
Structure of ALVERINE CITRATE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (GC)
EP
NIH
NCATS
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