tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol
Basic information
- CAS
19970-80-0- Standard SMILES
OCCCN1CCCN(CCCO)CC1- InChIKey
WYKDLBVWXHCAJC-UHFFFAOYSA-N- Molecular formula
- C11H24N2O2
- Average molar mass
- 216.32 g/mol
- Monoisotopic mass
- 216.18377801
Names & identifiers
- Preferred name
- tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol
- IUPAC
- 3-[4-(3-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-ol
- English name
- tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol
- Molecular formula
- C11H24N2O2
- Molecular weight
- 216.32
Names & synonyms
19970-80-0Tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanolEINECS 243-445-8RefChem:188607243-445-83-[4-(3-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-ol1H-1,4-Diazepine-1,4(5H)-dipropanol, tetrahydro-N,N'-Bis(3-Hydroxypropyl)homopiperazineSCHEMBL8679860DTXSID20941880WYKDLBVWXHCAJC-UHFFFAOYSA-NMFCD00044319
Show more names
Nicotinamide Impurity 185N,N-Bis(3-hydroxypropyl)hoMopiperazineN,N'-Bis(3-hydroxypropyl)-homopiperazine,98%3,3'-(1,4-Diazepane-1,4-diyl)bis(1-propanol)3,3'-(1,4-diazepane-1,4-diyl)bis(propan-1-ol)1H-1,4-Diazepine-1,4(5H)-dipropanol,tetrahydro-1,4-Bis(3-hydroxypropyl)hexahydro-1H-1,4-diazepine
SY409673DB-066013NS000480113,3'-(1,4-Diazepane-1,4-diyl)di(propan-1-ol)3,3 inverted exclamation mark -(1,4-Diazepane-1,4-diyl)bis(1-propanol)
Database identifiers
- CAS
19970-80-0- PubChem CID
- 88322
- DTXSID
DTXSID20941880- EC Number
- 243-445-8
- Nikkaji
- J120.388F
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Boiling point
- 360.8 · 360.8±42.0 °C(Predicted)
- Density
- 1.032 · 1.032
- pka
- 14.81 · 14.81±0.10(Predicted)
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Compound notes
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