Basic information
- CAS
6646-51-1- Standard SMILES
Cn1ccnc1N- InChIKey
NQCJWEXYVVFKBT-UHFFFAOYSA-N- Molecular formula
- C4H7N3
- Average molar mass
- 97.12 g/mol
- Monoisotopic mass
- 97.06399722
Names & identifiers
- Preferred name
- 1-Methyl-1H-imidazol-2-amine
- IUPAC
- 1-methylimidazol-2-amine
- English name
- 1-methyl-1H-imidazol-2-amine
- Molecular formula
- C4H7N3
- Molecular weight
- 97.12
Names & synonyms
1-Methyl-1H-imidazol-2-amine6646-51-1DTXSID20340652RefChem:231479DTXCID40291733804-279-71-methylimidazol-2-amine2-Amino-1-methylimidazoleMFCD016461031H-Imidazol-2-amine,1-methyl-1H-Imidazol-2-amine, 1-methyl-1-methyl-1H-imidazole-2-amine
Show more names
CAS:6646-51-11-Methyl-2-aminoimidazole2-AMino-1-Methyl-1H-iMidazole, 97%1-methyl-1H-imidazol-2-amine(SALTDATA: HCl)
2-Amino-1-methyl-1H-imidazole1-Methyl-1H-imidazol-2-ylamine2-amino-3-methylimidazol2-amino-N-methyl-imidazoleCHEMBL64053SCHEMBL651400imidazole, 2-amino-1-methyl-SCHEMBL1690658
Database identifiers
- CAS
6646-51-1- PubChem CID
- 566321
- DTXSID
DTXSID20340652- ChEMBL
CHEMBL64053- EC Number
- 804-279-7
- Nikkaji
- J356.058I
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 64
Physicochemical properties
- Boiling point
- 255 ℃ · 255℃
- Density
- 1.22 · 1.22
- Flash point
- 108 ℃ · 108℃
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- pka
- 8.53 · 8.53±0.25(Predicted)
- form
- solid
- color
- White
- InChI
- InChI=1S/C4H7N3/c1-7-3-2-6-4(7)5/h2-3H,1H3,(H2,5,6)
- InChIKey
- NQCJWEXYVVFKBT-UHFFFAOYSA-N
- SMILES
- C1(N)N(C)C=CN=1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 271 · P271-P260-P280
- HS Code
- 2933299090 · 2933299090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933299090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P271-P260-P280
Chemistry & industry
Applications
Uses1-Methyl-1H-imidazol-2-amine, is an intermediate in the synthesis of variety of antibacterial and antitumor agents.
Upstream & downstream products
Upstream raw materials
Suppliers97 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
天津长江化学有限公司19129375004; 15321929114 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Aladdin Scientific[email protected]
Related reactions
24 records
Compound notes
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