Basic information
- CAS
766-93-8- Standard SMILES
O=CNC1CCCCC1- InChIKey
SWGXDLRCJNEEGZ-UHFFFAOYSA-N- Molecular formula
- C7H13NO
- Average molar mass
- 127.18 g/mol
- Monoisotopic mass
- 127.09971404
Overview
N-cyclohexylformamide is a member of the class of formamides that is cyclohexane substituted by a formamido group. It has a role as a mouse metabolite. It is a member of formamides and an alicyclic compound. It is functionally related to a formamide.
Names & identifiers
- Preferred name
- Cyclohexylformamide
- IUPAC
- N-cyclohexylformamide
- English name
- N-CYCLOHEXYLFORMAMIDE
- Molecular formula
- C7H13NO
- Molecular weight
- 127.18
Names & synonyms
N-CyclohexylformamideCyclohexylformamide766-93-8FormamidocyclohexaneFORMAMIDE, N-CYCLOHEXYL-N-formylcyclohexylamineX2CFE4SDT6N-cyclohexylmethanamideNSC-76127CHEBI:17945DTXSID40227416RefChem:163159
Show more names
TIMTEC-BB SBB007682n-cyclohexyl-formamidFormamide,N-cyclohexyl-N-Cyclohexylformamide >N-Cyclohexylformamide,99%
DTXCID40149907634-763-1MFCD00003828N-CyclohexylformamidN-ZyklohexylformamidFormylaminocyclohexaneN-CYCLOHEXYL FORMAMIDECHEMBL46778
Database identifiers
- CAS
766-93-8- PubChem CID
- 13017
- DTXSID
DTXSID40227416- ChEMBL
CHEMBL46778- ChEBI
CHEBI:17945- UNII
- X2CFE4SDT6
- EC Number
- 634-763-1
- Nikkaji
- J49.655C
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 86.9
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
SolventsSolvents -> Amides (<C10)
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physical DescriptionSolid; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 36 · 36-41 °C(lit.)
- Boiling point
- 113 °C700 · 113 °C700 mm Hg(lit.)
- Density
- 1.0123 · 1.0123
- refractive index
- 1.479 · 1.4790 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to lump to clear liquid
- pka
- 16.07 · 16.07±0.20(Predicted)
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 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]
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)
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
Hazards SummaryIntravenous LD50 (mouse) = 320 mg/kg; [RTECS] An irritant; [Alfa Aesar MSDS] See N,N-Dibutylformamide.
Hazard Classes and CategoriesAcute Tox. 4 (90.7%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 2
- rtecs
- LQ1825000
- hs_code
- 2924297099
- risk_code
- 22-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-39
Chemistry & industry
Applications
UsesN-Cyclohexylformamide is a useful reagent and can be used in preparation of aminobenzoxazole derivatives.
General DescriptionN-Cyclohexylformamide binds to the complex of horse liver alcohol dehydrogenase with NADH and is similar to the Michaelis complex for aldehyde reduction catalyzed by the enzyme. It is formed during hydration of cyclohexyl isocyanide catalyzed by a novel enzyme isonitrile hydratase from Pseudomonas putida N19-2 .
Suppliers58 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Related reactions
5 records
Compound notes
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