Basic information
- CAS
7720-39-0- Standard SMILES
Nc1ncc[nH]1- InChIKey
DEPDDPLQZYCHOH-UHFFFAOYSA-N- Molecular formula
- C3H5N3
- Average molar mass
- 83.09 g/mol
- Monoisotopic mass
- 83.04834716
Overview
from catabolism of arginine
Names & identifiers
- Preferred name
- 2-Aminoimidazole
- IUPAC
- 1H-imidazol-2-amine
- English name
- 2-Aminoimidazole
- Molecular formula
- C3H5N3
- Molecular weight
- 83.09
Names & synonyms
2-Aminoimidazole7720-39-0DTXSID60227953RefChem:465155DTXCID10150444231-751-41H-Imidazol-2-amine1H-Imidazol-2-ylamine1h-imidazole-2-amineMFCD00792530EINECS 231-751-42-Aminoimidazole, AldrichCPR
Show more names
2-Amino-1H-Imidazole2-aminoIMIDAZOLE:1h-imidazol-2-amine2-Aminoimidazole（2-Aminoimidazole hemisulfate）
CHEMBL291627BBL029017BDBM50316608STL146908AB07116PD158409CS-0054070EN300-27739
Database identifiers
- CAS
7720-39-0- PubChem CID
- 82140
- DTXSID
DTXSID60227953- ChEMBL
CHEMBL291627- EC Number
- 231-751-4
- Nikkaji
- J252F
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 45.3
Physicochemical properties
- Boiling point
- 313.1 · 313.1±25.0 °C(Predicted)
- Density
- 1.313 · 1.313±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- pka
- 15.06 · 15.06±0.10(Predicted)
- form
- solid
- color
- Brown
- InChI
- 1S/C3H5N3/c4-3-5-1-2-6-3/h1-2H,(H3,4,5,6)
- InChIKey
- DEPDDPLQZYCHOH-UHFFFAOYSA-N
- SMILES
- Nc1ncc[nH]1
- CAS DataBase Reference
- 7720 · 7720-39-0(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 305 · P305+P351+P338-P362+P364-P302+P352
- target organs
- Respiratory system
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · WGK 3
- HS Code
- 2933299090 · 2933299090
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 2933299090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P305+P351+P338-P362+P364-P302+P352
Chemistry & industry
Applications
Uses2-Aminoimidazole is a potent antibiofilm agent that can be used as an adjuvant to antimicrobial. 2-aminoimidazoles disrupts the ability of bacteria to protect themselves by inhibiting biofilm formation and genetically-encoded antibiotic resistance traits. 2-Aminoimidazole is also a weak noncompetitive inhibitor of human arginase I with a Ki of 3.6 mM.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
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Related reactions
65 records
Compound notes
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