Basic information
- CAS
891787-99-8- Standard SMILES
NC(=O)[C@H](N)Cc1cnc[nH]1- InChIKey
UMMQVDUMUMBTAV-RXMQYKEDSA-N- Molecular formula
- C6H10N4O
- Average molar mass
- 154.17 g/mol
- Monoisotopic mass
- 154.08546096
Names & identifiers
- Preferred name
- Histidinamide, D-
- IUPAC
- (2R)-2-amino-3-(1H-imidazol-5-yl)propanamide
- English name
- (R)-2-Amino-3-(1H-Imidazol-4-Yl)-Propionamide(WX665008)
- Molecular formula
- C6H10N4O
- Molecular weight
- 154.17
Names & synonyms
Histidinamide, D-891787-99-8K00MEB6427UNII-K00MEB64271H-Imidazole-5-propanamide, alpha-amino-, (alphaR)-1H-IMIDAZOLE-5-PROPANAMIDE, .ALPHA.-AMINO-, (.ALPHA.R)-RefChem:201166(2R)-2-amino-3-(1H-imidazol-5-yl)propanamide(R)-2-Amino-3-(1H-imidazol-4-yl)propanamided-histidine amide(R)-2-Amino-3-(1h-imidazol-4-yl)-propionamideSCHEMBL5101793
Show more names
D-Histidinamide1H-Imidazole-5-propanamide, α-amino-, (αR)-(R)-2-Amino-3-(1H-Imidazol-4-Yl)-Propionamide(WX665008)
SCHEMBL5717709(R)-2-amino-3-(1H-imidazol-5-yl)propanamideW10599
Database identifiers
- CAS
891787-99-8- PubChem CID
- 22877832
- UNII
- K00MEB6427
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 97.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Boiling point
- 527.2 · 527.2±45.0 °C(Predicted)
- Density
- 1.338 · 1.338±0.06 g/cm3(Predicted)
- pka
- 13.78 · 13.78±0.10(Predicted)
- FDA UNII
- 0 MEB6427 · K00MEB6427
Chemistry & industry
Suppliers2 total
苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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