Cyanamide, (3,4,5,6-tetrahydro-2H-azepin-7-yl)-
Basic information
- CAS
97482-07-0- Standard SMILES
N#CNC1=NCCCCC1- InChIKey
LBZZNASGPKRVDC-UHFFFAOYSA-N- Molecular formula
- C7H11N3
- Average molar mass
- 137.18 g/mol
- Monoisotopic mass
- 137.09529736
Names & identifiers
- Preferred name
- Cyanamide, (3,4,5,6-tetrahydro-2H-azepin-7-yl)-
- IUPAC
- 3,4,5,6-tetrahydro-2H-azepin-7-ylcyanamide
Names & synonyms
97482-07-0CYANAMIDE, (3,4,5,6-TETRAHYDRO-2H-AZEPIN-7-YL)-2-(N-Cyanimino)hexahydroazepineBRN 4799303[(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]carbonitrile(3,4,5,6-Tetrahydro-2H-azepin-7-yl)cyanamideDTXSID30242996((3,4,5,6-tetrahydro-2H-azepin-7-yl)amino)carbonitrileRefChem:580105DTXCID60165487853-969-4[(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]formonitrile
Show more names
3,4,5,6-tetrahydro-2H-azepin-7-ylcyanamideN-(3,4,5,6-Tetrahydro-2H-azepin-7-yl)cyanamide(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)carbonitrile2-cyanoiminohexahydroazepineXDA48207AKOS006223271AKOS026729242EN300-54935
Database identifiers
- CAS
97482-07-0- PubChem CID
- 57247
- DTXSID
DTXSID30242996- EC Number
- 853-969-4
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 48.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 175
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%)
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Related reactions
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Compound notes
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