4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzylamine Hydrochloride - ≥98%(HPLC) , CAS No.1258874-29-1

CAS: 1258874-29-1 Cat. No.: T162222 Molecular Weight: 251.64 EC Number: 826-483-5 PubChem CID: 66870186

GRADE & PURITY ≥98%(HPLC)

Synonyms

[4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]phenyl]methanamine Hydrochloride | 4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzylamine Hydrochloride, >/=98% | 4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzylamine Hydrochloride | [4-[3-(trifluoromethyl)diazirin-3-y

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

[4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]phenyl]methanamine Hydrochloride | 4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzylamine Hydrochloride, >/=98% | 4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzylamine Hydrochloride | [4-[3-(trifluoromethyl)diazirin-3-y

Specifications & Purity

≥98%(HPLC)

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504771862
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771862
• Canonical Smiles: C1=CC(=CC=C1CN)C2(N=N2)C(F)(F)F.Cl
• IUPAC Name: [4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanamine;hydrochloride
• InChIKey: DNTDGTWJZOMTAK-UHFFFAOYSA-N
• INCHI: 1S/C9H8F3N3.ClH/c10-9(11,12)8(14-15-8)7-3-1-6(5-13)2-4-7;/h1-4H,5,13H2;1H
• Isomeric SMILES: C1=CC(=CC=C1CN)C2(N=N2)C(F)(F)F.Cl
• PubChem CID: 66870186
• Molecular Weight: 251.64

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines Propargyl-type 1,3-dipolar organic compounds Diazirines Azacyclic compounds Organofluorides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzylamine - Phenylmethylamine - Aralkylamine - Azacycle - Diazirine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrochloride - Primary amine - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Alkyl fluoride - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• External Descriptors: Not available

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

Chemical and Physical Properties

• Sensitivity: heat sensitive ;light sensitive;air sensitive
• Melt Point(°C): 142 °C
• Molecular Weight: 251.630 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 251.044 Da
• Monoisotopic Mass: 251.044 Da
• Topological Polar Surface Area: 50.700 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 260.000
• 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: 2

XLogP3

References

1. Ruxuan Ma, Liuting Zheng, Han Yu, Da Huo, Huiyue Zhao, Hao Zhang.  (2025)  Chirality engineering-regulated liquid–liquid phase separation of stress granules and its role in chemo-sensitization and side effect mitigation.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:39862843] [10.1016/j.jcis.2025.01.177]

2. Zheng Liu-Ting, Yan Zeng-Shuai, Li Xin-Yue, Chang Jia-Jia, Tan Xiao-Qi, Wang Yu-Xing, Ding Hong-Ming, Liu Qin, Ma Yu-Qiang, Huo Da.  (2025)  Nanomaterial signatures program biomolecular condensates via triphasic separation for chemoplasticity remodeling.  Nature Communications,  16  (1): (1-24).  [PMID:41162367] [10.1038/s41467-025-64623-4]