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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H19NO.ClH
Molecular Weight 229.746
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(Phenylmethoxy)-3-pentanamine hydrochloride, (2S,3R)-

SMILES

Cl.CC[C@@H](N)[C@H](C)OCC1=CC=CC=C1

InChI

InChIKey=TWKAHTTZIQTUIN-XOZOLZJESA-N
InChI=1S/C12H19NO.ClH/c1-3-12(13)10(2)14-9-11-7-5-4-6-8-11;/h4-8,10,12H,3,9,13H2,1-2H3;1H/t10-,12+;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C12H19NO
Molecular Weight 193.2854
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:35:54 GMT 2023
Edited
by admin
on Sat Dec 16 19:35:54 GMT 2023
Record UNII
YZK5M35YLZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(Phenylmethoxy)-3-pentanamine hydrochloride, (2S,3R)-
Systematic Name English
(1R,2S)-2-benzyloxy-1-ethylpropylamine hydrochloride
Systematic Name English
3-Pentanamine, 2-(phenylmethoxy)-, hydrochloride (1:1), (2S,3R)-
Systematic Name English
(2S,3R)-2-(Phenylmethoxy)-3-pentanamine hydrochloride
Systematic Name English
Code System Code Type Description
FDA UNII
YZK5M35YLZ
Created by admin on Sat Dec 16 19:35:54 GMT 2023 , Edited by admin on Sat Dec 16 19:35:54 GMT 2023
PRIMARY
CAS
1356090-14-6
Created by admin on Sat Dec 16 19:35:54 GMT 2023 , Edited by admin on Sat Dec 16 19:35:54 GMT 2023
PRIMARY
PUBCHEM
50999039
Created by admin on Sat Dec 16 19:35:54 GMT 2023 , Edited by admin on Sat Dec 16 19:35:54 GMT 2023
PRIMARY
Related Record Type Details
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