(2R)-1-hydroxyhexan-2-aminium
Basic information
- CAS
80696-28-2- Standard SMILES
CCCC[C@@H]([NH3+])CO- InChIKey
DPEOTCPCYHSVTC-ZCFIWIBFSA-O- Molecular formula
- C6H16NO+
- Average molar mass
- 118.2 g/mol
- Monoisotopic mass
- 118.12318913
Names & identifiers
- Preferred name
- (2R)-1-hydroxyhexan-2-aminium
- IUPAC
- [(2R)-1-hydroxyhexan-2-yl]azanium
- English name
- D-NORLEUCINOL
- Molecular formula
- C6H15NO
- Molecular weight
- 117.19
Names & synonyms
1-Hydroxyhexan-2-aminium(2R)-1-hydroxyhexan-2-aminiumDTXSID401001421H-D-Nle-OLD-NORLEUCINOLD-Norleucinol,97%(R)-2-Aminohexan-1-ol(R)-2-AMINO-1-HEXANOL(2R)-2-aminohexan-1-ol(R)-2-Amino-1-hexzanol(R)-(-)-2-AMINO-1-HEXANOL1-Hexanol, 2-amino-, (2R)-
Show more names
(2R)-2-amino-2-butyl-1-ethanol
Database identifiers
- CAS
80696-28-2- PubChem CID
- 6994401
- DTXSID
DTXSID401001421
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 1
- Complexity
- 47.8
Physicochemical properties
- Melting point
- 40 · 40-44 °C (lit.)
- Boiling point
- 216 · 216-218 °C (lit.)
- Density
- 0.907 · 0.907±0.06 g/cm3(Predicted)
- Flash point
- 99.44 °C · 99.44 °C
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- liquid
- pka
- 12.88 · 12.88±0.10(Predicted)
- color
- light brown slush
- optical activity
- 20 · [α]20/D 14°, c = 1 in chloroform
- InChI
- 1S/C6H15NO/c1-2-3-4-6(7)5-8/h6,8H,2-5,7H2,1H3/t6-/m1/s1
- InChIKey
- DPEOTCPCYHSVTC-ZCFIWIBFSA-N
- SMILES
- CCCC[C@@H](N)CO
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 29221985
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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