Benzenemethanamine, N-butyl-2-chloro-
Basic information
- CAS
16183-39-4- Standard SMILES
CCCCNCc1ccccc1Cl- InChIKey
PUEUFOKKVOOXEW-UHFFFAOYSA-N- Molecular formula
- C11H16ClN
- Average molar mass
- 197.7 g/mol
- Monoisotopic mass
- 197.0971272
Names & identifiers
- Preferred name
- Benzenemethanamine, N-butyl-2-chloro-
- IUPAC
- N-[(2-chlorophenyl)methyl]butan-1-amine
- English name
- CHEMBRDG-BB 4024926
- Molecular formula
- C11H16ClN
- Molecular weight
- 197.7
Names & synonyms
16183-39-4Benzenemethanamine, N-butyl-2-chloro-DTXSID90167257RefChem:324828DTXCID3089748N-(2-chlorobenzyl)butan-1-aminebutyl[(2-chlorophenyl)methyl]amineN-[(2-chlorophenyl)methyl]butan-1-amineMFCD07407515SCHEMBL9784389CHEMBL1178105N-(n-butyl)-2-chlorobenzylamine
Show more names
Aids107179Aids-107179CHEMBRDG-BB 4024926UKRORGSYN-BB BBV-125477N-(2-CHLOROPHENYLMETHYL)BUTYLAMINEN-(2-chlorobenzyl)butan-1-amine(SALTDATA: HCl)
PUEUFOKKVOOXEW-UHFFFAOYSA-NRAA18339BBL023084STK294165AKOS000234820EN300-65410C77946Z86132035
Database identifiers
- CAS
16183-39-4- PubChem CID
- 485398
- DTXSID
DTXSID90167257- ChEMBL
CHEMBL1178105
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
- 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
- 9.11 · 9.11±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
- HS Code
- 2921490090 · 2921490090
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
- hs_code
- 2921490090
- 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
Upstream raw materials
Related reactions
3 records
Compound notes
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