Basic information
- CAS
414885-80-6- Standard SMILES
CN1CCCN(Cc2cccc(Br)c2)CC1- InChIKey
XUIRKBKKWOVRIJ-UHFFFAOYSA-N- Molecular formula
- C13H19BrN2
- Average molar mass
- 283.21 g/mol
- Monoisotopic mass
- 282.07316
Names & identifiers
- Preferred name
- 1-[(3-Bromophenyl)methyl]-4-methyl-1,4-diazepane
- IUPAC
- 1-[(3-bromophenyl)methyl]-4-methyl-1,4-diazepane
- English name
- 1-(3-bromobenzyl)-4-methylperhydro-1,4-diazepine
- Molecular formula
- C13H19BrN2
- Molecular weight
- 283.21
Names & synonyms
414885-80-61-[(3-bromophenyl)methyl]-4-methyl-1,4-diazepane1-(3-bromobenzyl)-4-methyl-1,4-diazepaneMFCD008110361-(3-bromobenzyl)-4-methylperhydro-1,4-diazepine1H-1,4-Diazepine,1-[(3-bromophenyl)methyl]hexahydro-4-methyl-Cambridge id 5266396Oprea1_174074DTXSID40354150STK128946AKOS005402372MS-22496
Show more names
1-(3-Bromobenzyl)-4-methylhomopiperazine1-(3-Bromobenzyl)-4-methylhomopiperazine97%1-(3-Bromobenzyl)-4-methylhomopiperazine 97%1H-1,4-Diazepine, 1-[(3-bromophenyl)methyl]hexahydro-4-methyl-
DB-070193CS-0301013AB00077976-01EN300-1196883SR-01000202249SR-01000202249-1
Database identifiers
- CAS
414885-80-6- PubChem CID
- 764720
- DTXSID
DTXSID40354150
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Hazard Codes
- C
- Hazard Note
- Corrosive
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
- hazard_code
- C
- hazard_note
- Corrosive
Chemistry & industry
Suppliers3 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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