U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C10H13NO2.ClH
Molecular Weight 215.677
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HOMARYLAMINE HYDROCHLORIDE

SMILES

Cl.CNCCC1=CC2=C(OCO2)C=C1

InChI

InChIKey=MNHMCRQZDWHQBP-UHFFFAOYSA-N
InChI=1S/C10H13NO2.ClH/c1-11-5-4-8-2-3-9-10(6-8)13-7-12-9;/h2-3,6,11H,4-5,7H2,1H3;1H

HIDE SMILES / InChI
Molecular Formula C10H13NO2
Molecular Weight 179.2157
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
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

Description

Approval Year

1958
128
Sourcing

Sourcing

Vendor/AggregatorIDURL
1PlusChem LLC
1P00DBYF
1PlusChem LLC
1P01BIYS
A2B Chem
AG21223
A2B Chem
AW16612
AA Blocks
AA00DBEZ
http://www.aablocks.com/goods/Goods/detail?id=AA00DBEZ
ABBLIS Chemicals
AB1009180
ABI Chem
AC1L1VX5
Accela ChemBio Inc
SY026811
http://www.accelachem.com/cn/search.html?keyword=SY026811&attname=GoodsCode
Activate Scientific
AS27892
Ambinter
Amb17400706
http://www.ambinter.com/reference/17400706
AstaTech
AC6162
Aurora Fine Chemicals LLC
A02.414.818
http://online.aurorafinechemicals.com/info?ID=A02.414.818
BOC Sciences
451-77-4
Cayman Chemical
21351
ChemDiv
BB96-1240
Chemenu
CM118033
http://www.chemenu.com/products/CM118033
Chemhere
Achem118258
Chemieliva Pharmaceutical Co., Ltd
PBCM0583251
Chemspace
CSSB00000232745
https://chem-space.com/CSSB00000232745
Enamine
BBV-38265860
Enamine
EN300-386287
Enamine
EN300-386288
Enamine
PV-001939391999T5
Enamine
PV-001939392163T3
Life Chemicals
F1911-1816
MolPort
MolPort-020-337-790
MolPort
MolPort-044-586-767
MuseChem
R066959
Sinfoo Biotech
S018740
http://www.sinfoobiotech.com/product/1022138
Smolecule
S592193
https://www.smolecule.com/products/s592193
THE BioTek
bt-407002
https://www.thebiotek.com/product/others/bt-407002
ZINC
ZINC000001846204
http://zinc15.docking.org/substances/ZINC000001846204
eMolecules
35852752
eMolecules
43540976
mcule
MCULE-1483532736
mcule
MCULE-1546151334
PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:03:16 GMT 2023
Edited
by admin
on Fri Dec 15 15:03:16 GMT 2023
Record UNII
1D3FJ49IIS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HOMARYLAMINE HYDROCHLORIDE
Common Name English
HOMARYLAMINE HCL
Common Name English
N-METHYL-3,4-METHYLENEDIOXYPHENETHYLAMINE HYDROCHLORIDE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C66917
Created by admin on Fri Dec 15 15:03:16 GMT 2023 , Edited by admin on Fri Dec 15 15:03:16 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID70201441
Created by admin on Fri Dec 15 15:03:16 GMT 2023 , Edited by admin on Fri Dec 15 15:03:16 GMT 2023
PRIMARY
NCI_THESAURUS
C81592
Created by admin on Fri Dec 15 15:03:16 GMT 2023 , Edited by admin on Fri Dec 15 15:03:16 GMT 2023
PRIMARY
FDA UNII
1D3FJ49IIS
Created by admin on Fri Dec 15 15:03:16 GMT 2023 , Edited by admin on Fri Dec 15 15:03:16 GMT 2023
PRIMARY
CAS
533-10-8
Created by admin on Fri Dec 15 15:03:16 GMT 2023 , Edited by admin on Fri Dec 15 15:03:16 GMT 2023
PRIMARY
PUBCHEM
23616994
Created by admin on Fri Dec 15 15:03:16 GMT 2023 , Edited by admin on Fri Dec 15 15:03:16 GMT 2023
PRIMARY
Related Record Type Details
Structure of HOMARYLAMINE
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of HOMARYLAMINE
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