2-(Azepan-1-yl)aniline
Basic information
- CAS
51627-46-4- Standard SMILES
Nc1ccccc1N1CCCCCC1- InChIKey
MEZCGYFNGBWOFA-UHFFFAOYSA-N- Molecular formula
- C12H18N2
- Average molar mass
- 190.28 g/mol
- Monoisotopic mass
- 190.14699858
Names & identifiers
- Preferred name
- 2-(Azepan-1-yl)aniline
- IUPAC
- 2-(azepan-1-yl)aniline
- English name
- 2-Azepan-1-ylaniline
- Molecular formula
- C12H18N2
- Molecular weight
- 190.28
Names & synonyms
2-(azepan-1-yl)aniline51627-46-4DTXSID10424495RefChem:253154DTXCID80375329804-880-42-Azepan-1-yl-phenylamine2-(1-Azepanyl)aniline2-azaperhydroepinylphenylamineSCHEMBL3083172BCA62746SBB009580
Show more names
2-Azepan-1-ylaniline(2-azepan-1-ylphenyl)amine 2HClBenzenamine, 2-(hexahydro-1H-azepin-1-yl)-(2-azepan-1-ylphenyl)amine(SALTDATA: 2HCl)
AKOS000132647CCG-311207CS-0116588ST50295904EN300-28222F1911-3691Z239126314
Database identifiers
- CAS
51627-46-4- PubChem CID
- 6485341
- DTXSID
DTXSID10424495- EC Number
- 804-880-4
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- HazardClass
- IRRITANT
- HS Code
- 2921490090 · 2921490090
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 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2921490090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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