1-(Methylamino)cyclohexane-1-carbonitrile
Basic information
- CAS
6289-40-3- Standard SMILES
CNC1(C#N)CCCCC1- InChIKey
DSMAHJDZYJDGTD-UHFFFAOYSA-N- Molecular formula
- C8H14N2
- Average molar mass
- 138.21 g/mol
- Monoisotopic mass
- 138.11569846
Names & identifiers
- Preferred name
- 1-(Methylamino)cyclohexane-1-carbonitrile
- IUPAC
- 1-(methylamino)cyclohexane-1-carbonitrile
- English name
- 1-(methylamino)-cyclohexanecarbonitril
- Molecular formula
- C8H14N2
- Molecular weight
- 138.21
Names & synonyms
1-(methylamino)cyclohexane-1-carbonitrileRefChem:427989824-615-61-(Methylamino)cyclohexanecarbonitrile6289-40-3MFCD00972028Cyclohexanecarbonitrile, 1-(methylamino)-ASB54W9SYHNSC-5660NSC 56601-(methylamino)-cyclohexanecarbonitrilBRN 2078935
Show more names
NSC5660Cyclohexanecarbonitrile,1-(methylamino)-UNII-ASB54W9SYHSCHEMBL2743236DTXSID10212056HMS1788J091-Methylamino-cyclohexanecarbonitrileSBB078150
Database identifiers
- CAS
6289-40-3- PubChem CID
- 94865
- DTXSID
DTXSID10212056- UNII
- ASB54W9SYH
- EC Number
- 824-615-6
- Nikkaji
- J72.699K
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Boiling point
- 70 · 70-71 °C(Press: 2.2 Torr)
- Density
- 0.95 · 0.95±0.1 g/cm3(Predicted)
- pka
- 5.04 · 5.04±0.20(Predicted)
- FDA UNII
- 54 W9SYH · ASB54W9SYH
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H335-H312-H332-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- HS Code
- 2926907090 · 2926907090
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, 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%)
Safety data
- hs_code
- 2926907090
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H314-H335-H312-H332-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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