2-(1-Hydroxycyclohexyl)-2-methylpropanenitrile
Basic information
- CAS
7178-96-3- Standard SMILES
CC(C)(C#N)C1(O)CCCCC1- InChIKey
CAPFEGFDDNRVFW-UHFFFAOYSA-N- Molecular formula
- C10H17NO
- Average molar mass
- 167.25 g/mol
- Monoisotopic mass
- 167.13101417
Names & identifiers
- Preferred name
- 2-(1-Hydroxycyclohexyl)-2-methylpropanenitrile
- IUPAC
- 2-(1-hydroxycyclohexyl)-2-methylpropanenitrile
Names & synonyms
2-(1-hydroxycyclohexyl)-2-methylpropanenitrile7178-96-3RefChem:450985973-354-5HAA17896AKOS017670045CS-0225682G406022-(1-hydroxycyclohexyl)-2-methyl-propanenitrileEN300-1246459Z1310721782
Database identifiers
- CAS
7178-96-3- PubChem CID
- 12468656
- EC Number
- 973-354-5
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 205
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+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%)
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Related reactions
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Compound notes
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