1-(Isopropylamino)-3-phenoxypropan-2-ol(NIP) - Moligand™,≥98% , Antagonist of β 1-adrenoceptor;Antagonist of β 2-adrenoceptor, CAS No.7695-63-8, Antagonist of β 1-adrenoceptor;Antagonist of β 2-adrenoceptor

CAS: 7695-63-8 Cat. No.: N612307 Molecular Weight: 209.28 EC Number: 641-526-6 PubChem CID: 3123920
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
Synonyms
METOPROLOL TARTRATE IMPURITY F [EP IMPURITY] | SY109542 | Desmethoxyethyl metoprolol | Oprea1_349492 | 1-Isopropylamino-3-phenoxy-propan-2-ol | 1-Isopropylamino-3-phenoxypropan-2-ol | AKOS000301409 | DTXSID60874360 | 2-PROPANOL, 1-[(1-METHYLETHYL)AMINO]-3
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
N612307-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$34.90
1g
N612307-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$79.90
5g
N612307-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$339.90
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™,≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

1-(Isopropylamino)-3-phenoxypropan-2-ol(NIP), is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 1-(isopropylamino)-3-phenoxy-2-propanol provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research

Specifications

Synonyms
METOPROLOL TARTRATE IMPURITY F [EP IMPURITY] | SY109542 | Desmethoxyethyl metoprolol | Oprea1_349492 | 1-Isopropylamino-3-phenoxy-propan-2-ol | 1-Isopropylamino-3-phenoxypropan-2-ol | AKOS000301409 | DTXSID60874360 | 2-PROPANOL, 1-[(1-METHYLETHYL)AMINO]-3
Specifications & Purity
Moligand™, ≥98%
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
ANTAGONIST
Mechanism of action
Antagonist of β 1-adrenoceptor;Antagonist of β 2-adrenoceptor
Purity
≥98%
Names and Identifiers
Canonical SmilesCC(C)NCC(COC1=CC=CC=C1)O
IUPAC Name1-phenoxy-3-(propan-2-ylamino)propan-2-ol
InChIKeyONXLHKFGTDDVLQ-UHFFFAOYSA-N
INCHI1S/C12H19NO2/c1-10(2)13-8-11(14)9-15-12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3
Isomeric SMILES CC(C)NCC(COC1=CC=CC=C1)O
PubChem CID 3123920
Molecular Weight 209.28

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassPhenol ethers
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentPhenol ethers
Alternative Parents Phenoxy compounds  Alkyl aryl ethers  Secondary alcohols  1,2-aminoalcohols  Dialkylamines  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - 1,2-aminoalcohol - Secondary alcohol - Secondary amine - Secondary aliphatic amine - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Alcohol - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ADRB2 Tclin Beta-2 adrenergic receptor (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ADRB1 Tclin Beta-1 adrenergic receptor (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRB1 Tclin Adrenergic receptor beta (1214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Felis catus (3858 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight209.280 g/mol
XLogP31.700
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass209.142 Da
Monoisotopic Mass209.142 Da
Topological Polar Surface Area41.500 Ų
Heavy Atom Count15
Formal Charge0
Complexity156.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Ya Chen, Junwei Xu, Lida Shen, Jiantao Zhao, Jinsong Chen, Youwen Yang, Lin Wang, Jianfeng Zhao, Changjiang Wang.  (2022)  Tunable wettability of jet electrodeposited micro-nano structures modified by laser radiation.  SURFACE & COATINGS TECHNOLOGY,      [PMID:] [10.1016/j.surfcoat.2022.128763]
2. Dairui Xie, Hao Huang, Heng Zhang, Fang Shen, Meng Jiang, Xiaoting Li, Hongyan Shang, Jun Ma, Shilin Zhao.  (2022)  Extractive removal of micro and trace nitrofen, 2, 4-dichlorophenol and p-nitrotrophenol from water/soil by humic acid ester ether.  ENVIRONMENTAL TECHNOLOGY,      [PMID:33655807] [10.1080/09593330.2020.1862307]
Solution Calculators
Reviews

Customer Reviews

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