Isopentylamine - Moligand™, ≥99% , Agonist of TAAR3, CAS No.107-85-7, Agonist of TAAR3

CAS: 107-85-7 Cat. No.: I109581 Molecular Weight: 87.16 Beilstein Registry Number: 1209230 EC Number: 203-526-0

GRADE & PURITY Moligand™, ≥99%

Synonyms

CHEBI:43689 | ISOAMYLAMINE, REAG | LPO0L33SHY | (3-methyl-but-1-yl)-amine | GTPL5506 | ISOAMYLAMINE | isopentyl amine | 2-(2-isopropyl)ethylamine | AI3-24040 | AKOS000119764 | Q2835874 | FT-0616144 | 3-methyl-n-butylamine | F2190-0364 | gamma-Isoamylamine

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Overview

Isopentylamine is an aliphatic amine that is reported to occur in wine and eggs.

Specifications

Synonyms

CHEBI:43689 | ISOAMYLAMINE, REAG | LPO0L33SHY | (3-methyl-but-1-yl)-amine | GTPL5506 | ISOAMYLAMINE | isopentyl amine | 2-(2-isopropyl)ethylamine | AI3-24040 | AKOS000119764 | Q2835874 | FT-0616144 | 3-methyl-n-butylamine | F2190-0364 | gamma-Isoamylamine

Specifications & Purity

Moligand™, ≥99%

Storage

Room temperature, Argon charged

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of TAAR3

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488180600
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180600
• Canonical Smiles: CC(C)CCN
• IUPAC Name: 3-methylbutan-1-amine
• InChIKey: BMFVGAAISNGQNM-UHFFFAOYSA-N
• INCHI: 1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3
• Isomeric SMILES: CC(C)CCN
• WGK Germany: 1
• UN Number: 1106
• Molecular Weight: 87.16
• Beilstein: 1209230
• Reaxy-Rn: 1209230
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1209230&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Primary amines
          • Level6 Monoalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Primary amines
• Direct Parent: Monoalkylamines
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organopnictogen compound - Hydrocarbon derivative - Primary aliphatic amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group.
• External Descriptors: primary aliphatic amine

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

TAAR3P Tdark Putative trace amine-associated receptor 3 (0 Activities)

Discover Target: TAAR3P

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water, ethanol, and ether.
• Sensitivity: Air Sensitive
• Refractive Index: 1.408
• Flash Point(°F): 30.2 °F
• Flash Point(°C): -1 °C
• Boil Point(°C): 95-97°C
• Melt Point(°C): -60°C
• Molecular Weight: 87.160 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 87.1048 Da
• Monoisotopic Mass: 87.1048 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 25.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Xu Zheng, Guo Lulu, Yu Jingjing, Shen Siyuan, Wu Chao, Zhang Weifeng, Zhao Chang, Deng Yue, Tian Xiaowen, Feng Yuying, Hou Hanlin, Su Lantian, Wang Hongshuang, Guo Shuo, Wang Heli, Wang Kexin, Chen Peipei, Zhao Jie, Zhang Xiaoyu, Yong Xihao, Cheng Lin, Liu Lunxu, Yang Shengyong, Yang Fan, Wang Xiaohui, Yu Xiao, Xu Yunfei, Sun Jin-Peng, Yan Wei, Shao Zhenhua.  (2023)  Ligand recognition and G-protein coupling of trace amine receptor TAAR1.  NATURE,      [PMID:37935376] [10.1038/s41586-023-06804-z]

2. Zeng-Kui Zhu, Tingting Zhu, Jianbo Wu, Shihai You, Panpan Yu, Xitao Liu, Lina Li, Chengmin Ji, Junhua Luo.  (2023)  Discovering New Type of Lead-Free Cluster-Based Hybrid Double Perovskite Derivatives with Chiral Optical Activities and Low X-Ray Detection Limit.  ADVANCED FUNCTIONAL MATERIALS,  33  (26): (2214660).  [PMID:] [10.1002/adfm.202214660]

3. Han Shiguo, Li Maofan, Liu Yi, Guo Wuqian, Hong Mao-Chun, Sun Zhihua, Luo Junhua.  (2021)  Tailoring of a visible-light-absorbing biaxial ferroelectric towards broadband self-driven photodetection.  Nature Communications,  12  (1): (1-9).  [PMID:33436587] [10.1038/s41467-020-20530-4]