1,3-Propane-1,1,3,3-d4-diamine
Basic information
- CAS
347840-13-5- Standard SMILES
[2H]C([2H])(N)CC([2H])([2H])N- InChIKey
XFNJVJPLKCPIBV-RRVWJQJTSA-N- Molecular formula
- C3H10N2
- Average molar mass
- 78.15 g/mol
Names & identifiers
- Preferred name
- 1,3-Propane-1,1,3,3-d4-diamine
- IUPAC
- 1,1,3,3-tetradeuteriopropane-1,3-diamine
- English name
- 1,3-Propanediamine-1,1,3,3-d4
- Molecular formula
- C3H6D4N2
- Molecular weight
- 78.15
Names & synonyms
347840-13-51,3-Propane-1,1,3,3-d4-diamine1,1,3,3-tetradeuteriopropane-1,3-diamine1,3-PROPANEDIAMINE-1,1,3,3-D4DB-311484D984931,3-PropanediaMine-d41,3-PROPANE-1,1,3,3-D4-DIAMINE 2HCL
Database identifiers
- CAS
347840-13-5
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 12.4
Physicochemical properties
- Boiling point
- 135.507 · 135.507±8.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.868 · 0.868±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.432 · 10.432±0.10(predicted)
Chemistry & industry
Applications
Uses1,3-Propane-1,1,3,3-d4-diamine (CAS# 347840-13-5) is a useful isotopically labeled research compound.
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Compound notes
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