Details
Stereochemistry | RACEMIC |
Molecular Formula | C14H14O3.C4H11NO |
Molecular Weight | 319.3954 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 2 |
E/Z Centers | 0 |
Charge | 0 |
Stereo Comments | AMINOBUTANOL |
SHOW SMILES / InChI
SMILES
CCC(N)CO.COC1=CC2=CC=C(C=C2C=C1)[C@H](C)C(O)=O
InChI
InChIKey=IEFLDCWIDICXDL-FVGYRXGTSA-N
InChI=1S/C14H14O3.C4H11NO/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10;1-2-4(5)3-6/h3-9H,1-2H3,(H,15,16);4,6H,2-3,5H2,1H3/t9-;/m0./s1
Molecular Formula | C14H14O3 |
Molecular Weight | 230.2592 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C4H11NO |
Molecular Weight | 89.1362 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:14:59 UTC 2023
by
admin
on
Sat Dec 16 09:14:59 UTC 2023
|
Record UNII |
F5O9L39X2D
|
Record Status |
Validated (UNII)
|
Record Version |
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-
Download
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Systematic Name | English | ||
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Systematic Name | English |
Code System | Code | Type | Description | ||
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SUB14630MIG
Created by
admin on Sat Dec 16 09:14:59 UTC 2023 , Edited by admin on Sat Dec 16 09:14:59 UTC 2023
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PRIMARY | |||
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94110-00-6
Created by
admin on Sat Dec 16 09:14:59 UTC 2023 , Edited by admin on Sat Dec 16 09:14:59 UTC 2023
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44147054
Created by
admin on Sat Dec 16 09:14:59 UTC 2023 , Edited by admin on Sat Dec 16 09:14:59 UTC 2023
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100000076481
Created by
admin on Sat Dec 16 09:14:59 UTC 2023 , Edited by admin on Sat Dec 16 09:14:59 UTC 2023
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DTXSID30240634
Created by
admin on Sat Dec 16 09:14:59 UTC 2023 , Edited by admin on Sat Dec 16 09:14:59 UTC 2023
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F5O9L39X2D
Created by
admin on Sat Dec 16 09:14:59 UTC 2023 , Edited by admin on Sat Dec 16 09:14:59 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |