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Details

Stereochemistry ABSOLUTE
Molecular Formula C7H17NO2.C5H7NO3
Molecular Weight 276.3294
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-TERT-BUTYLAMINO-2,3-PROPANEDIOL PIDOLATE

SMILES

OC(=O)[C@@H]1CCC(=O)N1.CC(C)(C)NC[C@H](O)CO

InChI

InChIKey=SYUKFOHBOMZHBA-QPFDAVBJSA-N
InChI=1S/C7H17NO2.C5H7NO3/c1-7(2,3)8-4-6(10)5-9;7-4-2-1-3(6-4)5(8)9/h6,8-10H,4-5H2,1-3H3;3H,1-2H2,(H,6,7)(H,8,9)/t6-;3-/m00/s1

HIDE SMILES / InChI

Molecular Formula C5H7NO3
Molecular Weight 129.114
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C7H17NO2
Molecular Weight 147.2154
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:57:28 GMT 2023
Edited
by admin
on Sat Dec 16 07:57:28 GMT 2023
Record UNII
YN0ZC2NC74
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-TERT-BUTYLAMINO-2,3-PROPANEDIOL PIDOLATE
Systematic Name English
(2S)-3-(TERT-BUTYLAMINO)PROPANE-1,2-DIOL,(2S)-5-OXOPYRROLIDINE-2-CARBOXYLIC ACID
Systematic Name English
5-OXO-L-PROLINE, COMPOUND WITH (S)-3-(TERT-BUTYLAMINO)PROPANE-1,2-DIOL (1:1)
Systematic Name English
Code System Code Type Description
CAS
61906-38-5
Created by admin on Sat Dec 16 07:57:28 GMT 2023 , Edited by admin on Sat Dec 16 07:57:28 GMT 2023
PRIMARY
ECHA (EC/EINECS)
263-313-3
Created by admin on Sat Dec 16 07:57:28 GMT 2023 , Edited by admin on Sat Dec 16 07:57:28 GMT 2023
PRIMARY
EPA CompTox
DTXSID00210940
Created by admin on Sat Dec 16 07:57:28 GMT 2023 , Edited by admin on Sat Dec 16 07:57:28 GMT 2023
PRIMARY
PUBCHEM
6454302
Created by admin on Sat Dec 16 07:57:28 GMT 2023 , Edited by admin on Sat Dec 16 07:57:28 GMT 2023
PRIMARY
FDA UNII
YN0ZC2NC74
Created by admin on Sat Dec 16 07:57:28 GMT 2023 , Edited by admin on Sat Dec 16 07:57:28 GMT 2023
PRIMARY