1-Cyanocyclohexylamine hydrochloride
Basic information
- CAS
50846-38-3- Standard SMILES
Cl.N#CC1(N)CCCCC1- InChIKey
UZDHDPDJHBPQTQ-UHFFFAOYSA-N- Molecular formula
- C7H13ClN2
- Average molar mass
- 160.64 g/mol
- Monoisotopic mass
- 160.0767261
Names & identifiers
- Preferred name
- 1-Cyanocyclohexylamine hydrochloride
- IUPAC
- 1-aminocyclohexane-1-carbonitrile;hydrochloride
- English name
- 1-aminocyclohexanecarbonitrile hydrochloride
- Molecular formula
- C7H13ClN2
- Molecular weight
- 160.64452
Names & synonyms
1-Aminocyclohexanecarbonitrile hydrochloride1-cyanocyclohexylamine hydrochlorideCyano-1 amino-1 cyclohexane hydrochlorideCyclohexanecarbonitrile, 1-amino-, hydrochlorideEINECS 256-797-2UNII-ZUJ5VG3847ZUJ5VG3847DTXSID50198885Cyclohexanecarbonitrile, 1-amino-, monohydrochlorideCYCLOHEXANECARBONITRILE, 1-AMINO-, HYDROCHLORIDE (1:1)RefChem:197019DTXCID10121376
Show more names
1-Amino-1-cyanocyclohexane hydrochloride1-amino-1-cyclohexanecarbonitrile hydrochloride
50846-38-3MFCD017346231-aminocyclohexane-1-carbonitrile hydrochloride1-aminocyclohexanecarbonitrilehydrochloride1-aminocyclohexane-1-carbonitrile;hydrochloride1-aminocyclohexanecarbonitrile HClSCHEMBL6963551-AMINO-CYCLOHEXANECARBONITRILE; HYDROCHLORIDE
Database identifiers
- CAS
50846-38-3- PubChem CID
- 198262
- DTXSID
DTXSID50198885- UNII
- ZUJ5VG3847
- EC Number
- 256-797-2
Properties
Computed structural properties
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Melting point
- 187 · 187-189 °C
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- White to off-white Solid
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 5 VG3847 · ZUJ5VG3847
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- 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.
Safety data
- hs_code
- 2926907090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
2 records
Compound notes
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