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Details

Stereochemistry ACHIRAL
Molecular Formula C12H27N.C6H6O
Molecular Weight 279.4607
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Phenol, compd. with N,N-dibutyl-1-butanamine

SMILES

OC1=CC=CC=C1.CCCCN(CCCC)CCCC

InChI

InChIKey=IZGMMJFZIQHGNC-UHFFFAOYSA-N
InChI=1S/C12H27N.C6H6O/c1-4-7-10-13(11-8-5-2)12-9-6-3;7-6-4-2-1-3-5-6/h4-12H2,1-3H3;1-5,7H

HIDE SMILES / InChI

Molecular Formula C6H6O
Molecular Weight 94.1112
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C12H27N
Molecular Weight 185.3495
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 10:54:56 GMT 2025
Edited
by admin
on Wed Apr 02 10:54:56 GMT 2025
Record UNII
Z2GCS3L4DQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Phenol, compd. with N,N-dibutyl-1-butanamine
Common Name English
Phenol, compound with N,N-dibutylbutylamine (1:1)
Preferred Name English
Phenol, compound with N,N-dibutylbutylamine
Common Name English
Phenol, compd. with N,N-dibutyl-1-butanamine (1:1)
Systematic Name English
Code System Code Type Description
CAS
5950-82-3
Created by admin on Wed Apr 02 10:54:56 GMT 2025 , Edited by admin on Wed Apr 02 10:54:56 GMT 2025
PRIMARY
ECHA (EC/EINECS)
227-714-7
Created by admin on Wed Apr 02 10:54:56 GMT 2025 , Edited by admin on Wed Apr 02 10:54:56 GMT 2025
PRIMARY
EPA CompTox
DTXSID60208207
Created by admin on Wed Apr 02 10:54:56 GMT 2025 , Edited by admin on Wed Apr 02 10:54:56 GMT 2025
PRIMARY
FDA UNII
Z2GCS3L4DQ
Created by admin on Wed Apr 02 10:54:56 GMT 2025 , Edited by admin on Wed Apr 02 10:54:56 GMT 2025
PRIMARY
PUBCHEM
6453820
Created by admin on Wed Apr 02 10:54:56 GMT 2025 , Edited by admin on Wed Apr 02 10:54:56 GMT 2025
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