Basic information
- CAS
59039-64-4- Standard SMILES
CN1CCCN(CCO)CC1- InChIKey
AJZYETCLSRTJOY-UHFFFAOYSA-N- Molecular formula
- C8H18N2O
- Average molar mass
- 158.24 g/mol
- Monoisotopic mass
- 158.1419132
Names & identifiers
- Preferred name
- 2-(4-Methyl-1,4-diazepan-1-yl)ethanol
- IUPAC
- 2-(4-methyl-1,4-diazepan-1-yl)ethanol
- English name
- 2-(4-Methyl-[1,4]diazepan-1-yl)-ethanol
- Molecular formula
- C8H18N2O
- Molecular weight
- 158.24
Names & synonyms
59039-64-41-(2-Hydroxyethyl)-4-methyl-[1,4]diazepane2-(4-methyl-1,4-diazepan-1-yl)ethanol2-(4-Methyl-[1,4]diazepan-1-yl)-ethanolMFCD121866282-(4-Methyl-1,4-diazepan-1-yl)ethan-1-olSCHEMBL316062SCHEMBL2978759DTXSID30286375AJZYETCLSRTJOY-UHFFFAOYSA-NAKOS0095619612-(4-methylhomopiperazin-1-yl)ethanol
Show more names
1-(2-Hydroxyethyl)-4-methyl-[1,4]d1H-1,4-Diazepine-1-ethanol, hexahydro-4-methyl-
DB-301865F0615781-(2-Hydroxyethyl)-4-methyl-[1,4]diazepane, 97%
Database identifiers
- CAS
59039-64-4- PubChem CID
- 239725
- DTXSID
DTXSID30286375
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 108
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
江阴安博生物医药有限公司086-010-62176588 · [email protected]
Related reactions
3 records
Compound notes
Loading…