Basic information
- CAS
60509-40-2- Standard SMILES
CCCCNCc1ccc(Br)cc1- InChIKey
MCNOIXPMJHKLAK-UHFFFAOYSA-N- Molecular formula
- C11H16BrN
- Average molar mass
- 242.16 g/mol
- Monoisotopic mass
- 241.04661
Names & identifiers
- Preferred name
- Benzenemethanamine, 4-bromo-N-butyl-
- IUPAC
- N-[(4-bromophenyl)methyl]butan-1-amine
- English name
- CHEMBRDG-BB 4022325
- Molecular formula
- C11H16BrN
- Molecular weight
- 242.16
Names & synonyms
60509-40-2Benzenemethanamine, 4-bromo-N-butyl-DTXSID60209254RefChem:324755DTXCID80131745N-(4-bromobenzyl)butan-1-amine[(4-bromophenyl)methyl](butyl)amineN-[(4-bromophenyl)methyl]butan-1-amine(4-BROMOBENZYL)BUTYLAMINEMFCD07409923SCHEMBL1241933CHEMBL1178175
Show more names
Aids107184Aids-107184CHEMBRDG-BB 4022325UKRORGSYN-BB BBV-125480N-(4-BROMOBENZYL)-N-BUTYLAMINEN-(4-BROMOPHENYLMETHYL)BUTYLAMINE(4-bromobenzyl)butylamine(SALTDATA: HCl)
BBL025858STL368391AKOS000234867VS-08123C78342EN300-168495
Database identifiers
- CAS
60509-40-2- PubChem CID
- 485403
- DTXSID
DTXSID60209254- ChEMBL
CHEMBL1178175- Nikkaji
- J2.621.247B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 119
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
Suppliers4 total
河北贝克曼生物科技有限公司15961617865 15961617865 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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