Benzenemethanamine, N-butyl-3-chloro-
Basic information
- CAS
16183-35-0- Standard SMILES
CCCCNCc1cccc(Cl)c1- InChIKey
GAAGRDXHAYEBJG-UHFFFAOYSA-N- Molecular formula
- C11H16ClN
- Average molar mass
- 197.7 g/mol
- Monoisotopic mass
- 197.0971272
Names & identifiers
- Preferred name
- Benzenemethanamine, N-butyl-3-chloro-
- IUPAC
- N-[(3-chlorophenyl)methyl]butan-1-amine
- English name
- N-(3-Chlorobenzyl)butan-1-amine
- Molecular formula
- C11H16ClN
- Molecular weight
- 197.7
Names & synonyms
16183-35-0N-(3-chlorobenzyl)butan-1-amineBUTYL[(3-CHLOROPHENYL)METHYL]AMINEBenzenemethanamine, N-butyl-3-chloro-N-[(3-chlorophenyl)methyl]butan-1-amineN-(3-CHLOROBENZYL)-1-BUTANAMINEMFCD05740343CHEMBL1178094SCHEMBL13975775DTXSID30167256N-butyl-N-(3-chlorobenzyl)amineGAAGRDXHAYEBJG-UHFFFAOYSA-N
Show more names
AKOS LT-1098X1398CHEMBRDG-BB 9071982UKRORGSYN-BB BBV-125639N-(3-CHLOROPHENYLMETHYL)BUTYLAMINEN-Butyl-3-chlorobenzenemethanamineN-(3-chlorobenzyl)-1-butanamine 1HClN-(3-chlorobenzyl)-1-butanamine(SALTDATA: HCl)
BBL000285STK511313AKOS000234829VS-00545C77945EN300-167351AN-465/42886860
Database identifiers
- CAS
16183-35-0- PubChem CID
- 457585
- DTXSID
DTXSID30167256- ChEMBL
CHEMBL1178094- Nikkaji
- J545.038A
Properties
Computed structural properties
- XLogP
- 3.4
- 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
- Boiling point
- 264.2 · 264.2±15.0 °C(Predicted)
- Density
- 1.026 · 1.026±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 9.44 · 9.44±0.19(Predicted)
- 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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Related reactions
1 records
Compound notes
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