(+)-cis-2-Benzylaminocyclohexanemethanol
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Basic information
- CAS
71581-92-5- Standard SMILES
OC[C@@H]1CCCC[C@@H]1NCc1ccccc1- InChIKey
BRQFIORUNWWNBM-KBPBESRZSA-N- Molecular formula
- C14H21NO
- Average molar mass
- 219.32 g/mol
- Monoisotopic mass
- 219.16231429
Names & identifiers
- Preferred name
- (+)-cis-2-Benzylaminocyclohexanemethanol
- IUPAC
- [(1R,2S)-2-(benzylamino)cyclohexyl]methanol
- English name
- (+)-CIS-2-BENZYLAMINOCYCLOHEXANEMETHANOL
- Molecular formula
- C14H21NO
- Molecular weight
- 219.32
Names & synonyms
71581-92-5(+)-cis-2-Benzylaminocyclohexanemethanol(+)-Benzyl(cis-2-[hydroxymethyl]cyclohexyl)amine(+)-Benzyl(cis-2-(hydroxymethyl)cyclohexyl)amineRefChem:203645620-736-1BRQFIORUNWWNBM-KBPBESRZSA-N((1R,2S)-2-(Benzylamino)cyclohexyl)methanol[(1R,2S)-2-(benzylamino)cyclohexyl]methanol77647-26-8MFCD00151395CIS-(1R,2S)-(+)-2-BENZYLAMINOCYCLOHEXANEMETHANOL
Show more names
2-(benzylamino)cyclohexanemethanolcis-2-(Benzylamino)cyclohexyl]methanol((1R,2S)-2-BENZYLAMINO-CYCLOHEXYL)-METHANOL(1R,2S)-(+)-cis-2-(Benzylamino)cyclohexanemethanol(1R,2S)-(+)-CIS-[2-(BENZYLAMINO)-CYCLOHEXYL]METHANOL
(1R,2S)-2-[(Phenylmethyl)amino]cyclohexanemethanol(+)-N-Benzyl-cis-2-hydroxymethylcyclohexylamineSCHEMBL249580orb3030826DTXSID30357478Fr13311cis-2-(benzylamino)cyclohexylmethanolAKOS015839214
Database identifiers
- CAS
71581-92-5- PubChem CID
- 853687
- DTXSID
DTXSID30357478- EC Number
- 620-736-1
- Nikkaji
- J945.598A
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Melting point
- 67 · 67-69 °C(lit.)
- Boiling point
- 352.842 · 352.842±15.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.048 · 1.048±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- refractive index
- 24 ° · 24 ° (C=1, MeOH)
- storage temp.
- 2 · 2-8°C
- form
- Crystalline Powder
- pka
- 15.049 · 15.049±0.10(predicted)
- color
- White to off-white
- BRN
- 3942893 · 3942893
- CAS DataBase Reference
- 71581 · 71581-92-5(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 280 g-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 · P280g-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- HS Code
- 29221985 · 29221985
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 29221985
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P280g-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Related reactions
2 records
Compound notes
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