2-Aminocyclohex-1-ene-1-carbonitrile
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Basic information
- CAS
15595-71-8- Standard SMILES
N#CC1=C(N)CCCC1- InChIKey
PFIVIEDNXASHEY-UHFFFAOYSA-N- Molecular formula
- C7H10N2
- Average molar mass
- 122.17 g/mol
- Monoisotopic mass
- 122.08439832
Names & identifiers
- Preferred name
- 2-Aminocyclohex-1-ene-1-carbonitrile
- IUPAC
- 2-aminocyclohexene-1-carbonitrile
- English name
- 2-AMino-cyclohex-1-enecarbonitrile
- Molecular formula
- C7H10N2
- Molecular weight
- 122.17
Names & synonyms
2-aminocyclohex-1-ene-1-carbonitrileDTXSID80302731RefChem:465116DTXCID30253865823-701-015595-71-82-Aminocyclohex-1-enecarbonitrile2-aminocyclohexene-1-carbonitrile2-Amino-cyclohex-1-enecarbonitrileMFCD160464301-Cyclohexene-1-carbonitrile, 2-amino-2-Amino-1-cyclohexenecarbonitrile
Show more names
NSC153146aminocyclohexene carbonitrileSCHEMBL16217352-amino-1-cyano-1-cyclohexenePFIVIEDNXASHEY-UHFFFAOYSA-N2-amino-cyclohexene-1-carbonitrileXH1086AKOS008149588
Database identifiers
- CAS
15595-71-8- PubChem CID
- 290175
- DTXSID
DTXSID80302731- EC Number
- 823-701-0
- Nikkaji
- J510.724E
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Melting point
- 94 · 94-95 °C
- Boiling point
- 326.9 · 326.9±42.0 °C(Predicted)
- Density
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 6.72 · 6.72±0.20(Predicted)
- Appearance
- Light yellow to light brown Solid
- InChI
- InChI=1S/C7H10N2/c8-5-6-3-1-2-4-7(6)9/h1-4,9H2
- InChIKey
- PFIVIEDNXASHEY-UHFFFAOYSA-N
- SMILES
- C1(C#N)CCCCC=1N
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H315-H319-H335
- Precautionary statements
- 261 · P261-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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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)
- GHS02,GHS07
- Hazard statements
- H225-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
15 records
Compound notes
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