(2R)-2-amino-2-cyclohexylethan-1-ol
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Basic information
- CAS
85711-13-3- Standard SMILES
N[C@@H](CO)C1CCCCC1- InChIKey
VJJORIDDPKCJTI-QMMMGPOBSA-N- Molecular formula
- C8H17NO
- Average molar mass
- 143.23 g/mol
- Monoisotopic mass
- 143.13101417
Names & identifiers
- Preferred name
- (2R)-2-amino-2-cyclohexylethan-1-ol
- IUPAC
- (2R)-2-amino-2-cyclohexylethanol
- English name
- D-Cyclohexylglycinol
- Molecular formula
- C8H17NO
- Molecular weight
- 143.23
Names & synonyms
85711-13-3(2R)-2-amino-2-cyclohexylethan-1-olRefChem:397116967-231-5(R)-2-Amino-2-cyclohexylethanolD-CyclohexylglycinolD-CHG-OL(R)-2-amino-2-cyclohexylethan-1-ol(2R)-2-AMINO-2-CYCLOHEXYLETHANOL(R)-2-Amino-2-cyclohexyl-ethanolMFCD04112588(2R)-2-Amino-2-(cyclohexyl)ethanol
Show more names
(R)-CYCLOHEXYLGLYCINOL-2-Amino-2-cyclohexylethanolD-2-aMino-2-cyclohexyl-ethanolR-2-AMINO-2-CYCLOHEXANEETHANOLD-CYCLOHEXYLGLYCINOL USP/EP/BP
H-D-Chg-olSCHEMBL429555WLZ4983VJJORIDDPKCJTI-QMMMGPOBSA-N(2R)-2-amino-2-cyclohexyl-ethanolAKOS016843256(r)-1-cyclohexyl-2-hydroxy-ethylamineEBC-607625
Database identifiers
- CAS
85711-13-3- PubChem CID
- 13617488
- EC Number
- 967-231-5
- Nikkaji
- J58.503C
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 89
Physicochemical properties
- Melting point
- 72 · 72-74℃
- Boiling point
- 274 ℃ · 274℃
- Density
- 0.999 · 0.999
- Flash point
- 119 ℃ · 119℃
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- pka
- 12.85 · 12.85±0.10(Predicted)
- Appearance
- White to yellow Solid
- InChI
- InChI=1/C8H17NO/c9-8(6-10)7-4-2-1-3-5-7/h7-8,10H,1-6,9H2/t8-/s3
- InChIKey
- VJJORIDDPKCJTI-SBYBRXNCNA-N
- SMILES
- [C@@H](CO)(N)C1CCCCC1 |&1:0,r|
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 233 · P233-P261-P280-P301+P312-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338-P309+P311
- Risk Statements
- 36 · 36
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2906190090
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS05
- safety_code
- 26
- Hazard statements
- H302-H315-H318-H335
- Precautionary statements
- P233-P261-P280-P301+P312-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338-P309+P311
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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