4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzenemethanamine Hydrochloride - CAS 1258874-29-1
Catalog: |
BB057220 |
Product Name: |
4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzenemethanamine Hydrochloride |
CAS: |
1258874-29-1 |
Synonyms: |
4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzenemethanamine Hydrochloride; 4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzylamine Hydrochloride; [4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanamine; hydrochloride; (4-(3-(trifluoromethyl)-3h-diazirin-3-yl)phenyl)methanamine hcl; (4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)phenyl)methanamine hydrochloride; {4-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenyl}methanamine hydrochloride; Photo-Benzylamine*HCl |
IUPAC Name: | [4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanaminehydrochloride |
Description: | 4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzenemethanamine is a phenyldiazirine derivative used in the synthesis of photoaffinity ligands. |
Molecular Weight: | 251.64 |
Molecular Formula: | C9H9ClF3N3 |
Canonical SMILES: | C1=CC(=CC=C1CN)C2(N=N2)C(F)(F)F.Cl |
InChI: | InChI=1S/C9H8F3N3.ClH/c10-9(11,12)8(14-15-8)7-3-1-6(5-13)2-4-7/h1-4H,5,13H21H |
InChI Key: | DNTDGTWJZOMTAK-UHFFFAOYSA-N |
References: | Falchetto, R., et al. J. Biol. Chem., 266, 2930 (1991), Weber, P., et al. J. Peptide Res., 49, 375 (1997), Ploug, M., et a. Biochemistry, 37, 3612 (1998), Sadakane, Y., et al. Photomed. Photobiol., 25, 35 (2003),. |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2020093980-A | Medicine | 20170321 |
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Complexity: | 260 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.0437095 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.0437095 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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