Basic information
- CAS
70142-15-3- Standard SMILES
N[C@@H](CO)Cc1cnc[nH]1- InChIKey
ZQISRDCJNBUVMM-RXMQYKEDSA-N- Molecular formula
- C6H11N3O
- Average molar mass
- 141.17 g/mol
- Monoisotopic mass
- 141.09021198
Names & identifiers
- Preferred name
- D-Histidinol
- IUPAC
- (2R)-2-amino-3-(1H-imidazol-5-yl)propan-1-ol
- English name
- (betaR)-beta-Amino-1H-imidazole-5-propanol
- Molecular formula
- C6H11N3O
- Molecular weight
- 141.17
Names & synonyms
d-histidinol70142-15-3DTXSID50880031RefChem:336524DTXCID00304010CHEMBL19588(2r)-2-amino-3-(1h-imidazol-5-yl)propan-1-olr-histidinol(R)-2-Amino-3-(1H-imidazol-5-yl)propan-1-olSCHEMBL1580900SCHEMBL10002446ZQISRDCJNBUVMM-RXMQYKEDSA-N
Show more names
1H-Imidazole-5-propanol, β-amino-, (βR)-(betaR)-beta-Amino-1H-imidazole-5-propanol
BDBM50472553AKOS006239326(R)-2-amino-3-(1H-imidazol-4-yl)propan-1-ol(R)-2-Amino-3-(1H-imidazol-4-yl)-propan-1-ol
Database identifiers
- CAS
70142-15-3- PubChem CID
- 736174
- DTXSID
DTXSID50880031- ChEMBL
CHEMBL19588- Nikkaji
- J1.100.366D
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 99
Physicochemical properties
- Boiling point
- 455.492 · 455.492±30.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.262 · 1.262±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.625 · 12.625±0.10(predicted)
Chemistry & industry
Suppliers4 total
烟台宇晨生物医药有限公司0535-7295056 15692356085 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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