2H-Azepin-7-amine, 3,4,5,6-tetrahydro-N-(phenylmethyl)-
Basic information
- CAS
7048-72-8- Standard SMILES
c1ccc(CNC2=NCCCCC2)cc1- InChIKey
DKKOGBSTGPXBRI-UHFFFAOYSA-N- Molecular formula
- C13H18N2
- Average molar mass
- 202.3 g/mol
- Monoisotopic mass
- 202.14699858
Names & identifiers
- Preferred name
- 2H-Azepin-7-amine, 3,4,5,6-tetrahydro-N-(phenylmethyl)-
- IUPAC
- N-benzyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
- English name
- N-benzyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
- Molecular formula
- C13H18N2
- Molecular weight
- 202.29542
Names & synonyms
N-Benzyl-3,4,5,6-tetrahydro-2H-azepin-7-amine7048-72-82H-Azepin-7-amine, 3,4,5,6-tetrahydro-N-(phenylmethyl)-N-BenzyliminocaprolactamEINECS 230-328-1DTXSID4064551RefChem:484244DTXCID0046692230-328-12H-Azepin-7-amine,3,4,5,6-tetrahydro-N-(phenylmethyl)-WAY-602834IFLab1_000117
Show more names
BenzyliminocaprolactamEnamine_0015606BWC666KLCSCHEMBL7334086CHEMBL19068433,4,5,6-Tetrahydro-N-(phenylmethyl)-2H-azepin-7-amineDKKOGBSTGPXBRI-UHFFFAOYSA-NHMS1398G20
Database identifiers
- CAS
7048-72-8- PubChem CID
- 81501
- DTXSID
DTXSID4064551- ChEMBL
CHEMBL1906843- UNII
- 6BWC666KLC
- EC Number
- 230-328-1
- Nikkaji
- J227.351I
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 24.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- EPA Substance Registry System
- 2 H-Azepin-7-amine, · 2H-Azepin-7-amine, 3,4,5,6-tetrahydro-N-(phenylmethyl)- (7048-72-8)
- TSCA
- TSCA listed
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
This chemical does not meet GHS hazard criteria for 100% (37 of 37) of all reports.
Not Classified
Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 2H-Azepin-7-amine, 3,4,5,6-tetrahydro-N-(phenylmethyl)-
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2H-Azepin-7-amine, 3,4,5,6-tetrahydro-N-(phenylmethyl)-: INACTIVE
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…