ChemicalBook--->CAS DataBase List--->4507-57-7

4507-57-7

4507-57-7 Structure

4507-57-7 Structure
IdentificationBack Directory
[Name]

Methyl-1-aminocyclohexane carboxylate (free base)
[CAS]

4507-57-7
[Synonyms]

Methyl 1-Aminocyclohexanate
Methyl 1-Aminocyclohexanoate
METHYL1-AMINOCYCLOHEXANECARBOXYLATE
Methyl-1-aminocyclohexane carboxylat
2-aMino-2-Methylcyclohexane-1-carboxylate
1-amino-2-methyl-1-cyclohexanecarboxylate
Methyl-1-aminocyclohexane carboxylate (free base)
cyclohexanecarboxylic acid, 1-aMino-, Methyl ester
Methyl-1-aminocyclohexane carboxylate (free base) USP/EP/BP
[Molecular Formula]

C8H15NO2
[MDL Number]

MFCD08686793
[MOL File]

4507-57-7.mol
[Molecular Weight]

157.21
Chemical PropertiesBack Directory
[Boiling point ]

209.9±23.0 °C(Predicted)
[density ]

1.047±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,2-8°C
[pka]

7.19±0.70(Predicted)
[InChI]

InChI=1S/C8H15NO2/c1-11-7(10)8(9)5-3-2-4-6-8/h2-6,9H2,1H3
[InChIKey]

KRDTUMQGDPZWMF-UHFFFAOYSA-N
[SMILES]

C1(N)(C(OC)=O)CCCCC1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
[HazardClass ]

IRRITANT
[HS Code ]

2922498590
Hazard InformationBack Directory
[Description]

Polyurethane is one of the six promising synthetic materials in the world and is widely used in plastics, rubber, fibers, coatings and adhesives. Isocyanates are the basic raw materials for the synthesis of polyurethanes.
[Uses]

Methyl 1-aminocyclohexanecarboxylate is an amino acid compound that can be used as a biochemical reagent.
[Synthesis]

Methyl 1-aminocyclohexanecarboxylate was synthesized from methanol and 1-amino-1-cyclohexylcarboxylate with a yield of about 88%.
[References]

[1] Patent: WO2007/46550, 2007, A1. Location in patent: Page/Page column 124
[2] Patent: WO2008/4698, 2008, A2. Location in patent: Page/Page column 130
[3] Patent: WO2011/144584, 2011, A1. Location in patent: Page/Page column 52-53
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl-1-aminocyclohexane carboxylate (free base)(4507-57-7)1HNMR
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