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Details

Stereochemistry ACHIRAL
Molecular Formula 2C9H13NO.H2O4S
Molecular Weight 400.49
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-ETHYLAMINO-P-CRESOL SULFATE

SMILES

OS(O)(=O)=O.CCNC1=CC(O)=CC=C1C.CCNC2=CC(O)=CC=C2C

InChI

InChIKey=GGPJLVOSJQOJSN-UHFFFAOYSA-N
InChI=1S/2C9H13NO.H2O4S/c2*1-3-10-9-6-8(11)5-4-7(9)2;1-5(2,3)4/h2*4-6,10-11H,3H2,1-2H3;(H2,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula C9H13NO
Molecular Weight 151.2056
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H2O4S
Molecular Weight 98.078
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 Sat Dec 16 01:11:47 GMT 2023
Edited
by admin
on Sat Dec 16 01:11:47 GMT 2023
Record UNII
1JI3169J37
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-ETHYLAMINO-P-CRESOL SULFATE
INCI  
INCI  
Official Name English
PHENOL, 3-(ETHYLAMINO)-4-METHYL-, SULFATE
Systematic Name English
2-AMINO-2-HYDROXYETHYL-4-HYDROXYTOLUENE SULFATE
Systematic Name English
RODOL EACS
Brand Name English
3-ETHYLAMINO-P-CRESOL SULFATE [INCI]
Common Name English
Code System Code Type Description
CAS
68239-79-2
Created by admin on Sat Dec 16 01:11:47 GMT 2023 , Edited by admin on Sat Dec 16 01:11:47 GMT 2023
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PUBCHEM
109925
Created by admin on Sat Dec 16 01:11:47 GMT 2023 , Edited by admin on Sat Dec 16 01:11:47 GMT 2023
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EPA CompTox
DTXSID0071338
Created by admin on Sat Dec 16 01:11:47 GMT 2023 , Edited by admin on Sat Dec 16 01:11:47 GMT 2023
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FDA UNII
1JI3169J37
Created by admin on Sat Dec 16 01:11:47 GMT 2023 , Edited by admin on Sat Dec 16 01:11:47 GMT 2023
PRIMARY
ECHA (EC/EINECS)
269-473-0
Created by admin on Sat Dec 16 01:11:47 GMT 2023 , Edited by admin on Sat Dec 16 01:11:47 GMT 2023
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