beta,beta-Dimethyl-1H-imidazole-4-ethanamine
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Basic information
- CAS
21150-01-6- Standard SMILES
CC(C)(CN)c1cnc[nH]1- InChIKey
OKJUBHQJVNBSOG-UHFFFAOYSA-N- Molecular formula
- C7H13N3
- Average molar mass
- 139.2 g/mol
- Monoisotopic mass
- 139.11094743
Names & identifiers
- Preferred name
- beta,beta-Dimethyl-1H-imidazole-4-ethanamine
- IUPAC
- 2-(1H-imidazol-5-yl)-2-methylpropan-1-amine
- English name
- β,β-Dimethyl-1H-imidazole-4-ethanamine
- Molecular formula
- C7H13N3
- Molecular weight
- 139.2
Names & synonyms
21150-01-62-(1H-imidazol-5-yl)-2-methylpropan-1-amineBETA,BETA-DIMETHYL-1H-IMIDAZOLE-4-ETHANAMINEImidazole, 4-(2-amino-1,1-dimethylethyl)-SCHEMBL7179426CHEMBL3305036SCHEMBL14415970.beta.,.beta.-DimethylhistamineDTXSID90175392OKJUBHQJVNBSOG-UHFFFAOYSA-NWAA15001AKOS006375408
Show more names
β,β-Dimethylhistamineβ,β-Dimethyl-1H-imidazole-4-ethanamine1H-Imidazole-5-ethanamine, β,β-dimethyl-
EN300-18178282-(1H-Imidazol-4-yl)-2-methyl-1-propanamine #1H-Imidazole-4-ethanamine, .beta.,.beta.-dimethyl-
Database identifiers
- CAS
21150-01-6- PubChem CID
- 30507
- DTXSID
DTXSID90175392- ChEMBL
CHEMBL3305036- Nikkaji
- J110.500K
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 111
Physicochemical properties
- Boiling point
- 315.6 · 315.6±17.0 °C(Predicted)
- Density
- 1.059 · 1.059±0.06 g/cm3(Predicted)
- pka
- 14 · 14+-.0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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