Cyclohexylisopropylamine
Basic information
- CAS
1195-42-2- Standard SMILES
CC(C)NC1CCCCC1- InChIKey
UYYCVBASZNFFRX-UHFFFAOYSA-N- Molecular formula
- C9H19N
- Average molar mass
- 141.25 g/mol
- Monoisotopic mass
- 141.15174961
Names & identifiers
- Preferred name
- Cyclohexylisopropylamine
- IUPAC
- N-propan-2-ylcyclohexanamine
- English name
- N-Isopropylcyclohexylamine
- Molecular formula
- C9H19N
- Molecular weight
- 141.25
Names & synonyms
CyclohexylisopropylamineCyclohexanamine, N-(1-methylethyl)-RefChem:580867Cyclohexanamine, N-(1-methylethyl)-(9CI)214-798-5N-Isopropylcyclohexylamine1195-42-2N-IsopropylcyclohexanamineN-CyclohexylisopropylamineCyclohexylamine, N-isopropyl-N-(propan-2-yl)cyclohexanamineN-propan-2-ylcyclohexanamine
Show more names
-Isopropylcyclohexylaminen-isopropyl-cyclohexylaminN-Isopropylcyclohexylamine>N-Isopropylcyclohexylamine,99%
N-cyclohexyl-N-isopropylamineIsopropylcyclohexylamineIsopropyl cyclohexylamineMFCD00003831NSC 86132HN(iPr)Cycyclohexyl-isopropyl-amineDTXSID40152471
Database identifiers
- CAS
1195-42-2- PubChem CID
- 62386
- DTXSID
DTXSID40152471- EC Number
- 214-798-5
- Nikkaji
- J1.762K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 82.7
Physicochemical properties
- Melting point
- -79.9 °C · -79.9°C (estimate)
- Boiling point
- 60 · 60-65 °C12 mm Hg(lit.)
- Density
- 0.859 g/mL · 0.859 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.448(lit.)
- Flash point
- 93 °F · 93 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Liquid
- pka
- 11.03 · 11.03±0.20(Predicted)
- color
- Clear colorless to light yellow
- BRN
- 2070639 · 2070639
- InChI
- 1S/C9H19N/c1-8(2)10-9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3
- InChIKey
- UYYCVBASZNFFRX-UHFFFAOYSA-N
- SMILES
- CC(C)NC1CCCCC1
- CAS DataBase Reference
- 1195 · 1195-42-2(CAS DataBase Reference)
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationCyclohexanamine, N-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- GX1450000
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29213000
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- 8
- Storage Class
- 3 - Flammable liquids
Chemistry & industry
Applications
UsesN-Cyclohexylisopropylamine was used as reagent in the synthesis of 7-hydroxy cannabidiol and cannabidiol-7-oic acid.
Upstream & downstream products
Upstream raw materials
Related reactions
123 records
Compound notes
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