4-(1H-imidazol-1-yl)aniline

HCID 320165CAS 2221-00-3
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1ccc(-n2ccnc2)cc1
InChIKey
LVOASPZGXNAHJI-UHFFFAOYSA-N
Molecular formula
C9H9N3
Average molar mass
159.19 g/mol
Monoisotopic mass
159.07964729

Names & identifiers

Preferred name
4-(1H-imidazol-1-yl)aniline
IUPAC
4-imidazol-1-ylaniline
English name
4-(1H-Imidazol-1-yl)aniline
Molecular formula
C9H9N3
Molecular weight
159.19

Names & synonyms

4-(1H-imidazol-1-yl)aniline2221-00-3benzenamine, 4-(1H-imidazol-1-yl)-DTXSID00313142RefChem:510494DTXCID00264266606-953-4InChI=1/C9H9N3/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H,10H4-Imidazol-1-yl-phenylamine4-imidazol-1-ylaniline4-(Imidazol-1-yl)phenylamine1-(4-Aminophenyl)-1H-imidazole
Show more names
LANA-IN-1AKOS B021935AKOS BB-8983AKOS BBS-00000369ART-CHEM-BB B0219354-imidazolyl-aniline1-(4-AMINOPHENYL)IMIDAZOLE
MFCD010748654-(1-imidazolyl)aniline4-(1H-imidazol-1-yl)benzenamine4-(imidazol-1-yl)-anilineMaybridge3_005125NSC266462EN300-28522HMS1445I21

Database identifiers

CAS
2221-00-3
PubChem CID
320165
DTXSID
DTXSID00313142
ChEMBL
CHEMBL1457337
EC Number
606-953-4
Nikkaji
J676.176C

Properties

Computed structural properties

XLogP
1
Topological polar surface area
43.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
12

Physicochemical properties

Melting point
143 · 143-147 °C(lit.)
Boiling point
355.4 · 355.4±25.0 °C(Predicted)
Density
1.2 · 1.20±0.1 g/cm3(Predicted)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
form
powder
pka
6.05 · 6.05±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
29332900
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 1 item

UsesLANA-IN-1 (compound 8) is an N-acetyl-derived LANA inhibitor with antiviral activity against herpesvirus. In fluorescence assays using the LANA probe LBS2, 1 mM LANA-IN-1 shows an inhibition rate of 32%. LANA-IN-1 may inhibit the interaction between LANA and the viral genome[1].

Upstream & downstream products

Suppliers50 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

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Linked notes

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