4-(1H-imidazol-2-yl)aniline dihydrochloride
PubChem CID
47002669
Structure
Molecular Formula
Synonyms
- 4-(1H-imidazol-2-yl)aniline dihydrochloride
- 1235440-77-3
- [4-(1H-Imidazol-2-yl)phenyl]amine dihydrochloride
- 4-(1H-imidazol-2-yl)aniline;dihydrochloride
- MFCD16040008
Molecular Weight
232.11 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Parent Compound
Component Compounds
Dates
- Create:2010-11-25
- Modify:2024-12-28
Chemical Structure Depiction
3D Conformer of Parent
4-(1H-imidazol-2-yl)aniline;dihydrochloride
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C9H9N3.2ClH/c10-8-3-1-7(2-4-8)9-11-5-6-12-9;;/h1-6H,10H2,(H,11,12);2*1H
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CBRSTVXMDJKRRF-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1=CC(=CC=C1C2=NC=CN2)N.Cl.Cl
Computed by OEChem 2.3.0 (PubChem release 2021.10.14)
C9H11Cl2N3
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- 4-(1H-imidazol-2-yl)aniline dihydrochloride
- 1235440-77-3
- [4-(1H-Imidazol-2-yl)phenyl]amine dihydrochloride
- 4-(1H-imidazol-2-yl)aniline;dihydrochloride
- MFCD16040008
- SCHEMBL8534775
- AKOS027448050
- BS-30362
- 4-(1H-imidazol-2-yl)anilinedihydrochloride
- CS-0442825
- EN300-60877
- 4-(1H-Imidazol-2-yl)aniline dihydrochloride, AldrichCPR
- Z992717176
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
232.11 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
231.0330028 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
231.0330028 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
54.7Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
14
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
141
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
3
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
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Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
CONTENTS