Benzenemethanamine, 3-bromo-N-butyl-
Basic information
- CAS
60509-39-9- Standard SMILES
CCCCNCc1cccc(Br)c1- InChIKey
WBAYBKZTZNUUAS-UHFFFAOYSA-N- Molecular formula
- C11H16BrN
- Average molar mass
- 242.16 g/mol
- Monoisotopic mass
- 241.04661
Names & identifiers
- Preferred name
- Benzenemethanamine, 3-bromo-N-butyl-
- IUPAC
- N-[(3-bromophenyl)methyl]butan-1-amine
- English name
- CHEMBRDG-BB 9071282
- Molecular formula
- C11H16BrN
- Molecular weight
- 242.16
Names & synonyms
60509-39-9N-(3-bromobenzyl)butan-1-amineN-[(3-bromophenyl)methyl]butan-1-amine[(3-bromophenyl)methyl](butyl)amineBenzenemethanamine, 3-bromo-N-butyl-(3-BROMOBENZYL)BUTYLAMINEMFCD07409983CHEMBL1178156SCHEMBL19633152N-(3-bromobenzyl)-N-butylamineDTXSID00209253STK287259
Show more names
AKOS LT-992X0644CHEMBRDG-BB 9071282UKRORGSYN-BB BBV-125485N-(3-BROMOPHENYLMETHYL)BUTYLAMINE3-Bromo-N-butylbenzenemethanamine(3-bromobenzyl)butylamine(SALTDATA: HCl)[(3-bromophenyl)methyl](butyl)amine hydrochloride
AKOS000234917DB-200217C78341EN300-168498AN-465/41851813
Database identifiers
- CAS
60509-39-9- PubChem CID
- 457591
- DTXSID
DTXSID00209253- ChEMBL
CHEMBL1178156
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- storage temp.
- Store at Room Tem.
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
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