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Basic information
- CAS
16045-94-6- Standard SMILES
ClCCCN(Cc1ccccc1)Cc1ccccc1- InChIKey
LHJJKBNOKYQDFO-UHFFFAOYSA-N- Molecular formula
- C17H20ClN
- Average molar mass
- 273.8 g/mol
- Monoisotopic mass
- 273.1284273
Names & identifiers
- Preferred name
- N,N-dibenzyl-3-chloropropan-1-amine
- IUPAC
- N,N-dibenzyl-3-chloropropan-1-amine
- English name
- N,N-Dibenzyl-3-chloro-1-propanamine
- Molecular formula
- C17H20ClN
- Molecular weight
- 273.8
Names & synonyms
N,N-dibenzyl-3-chloropropan-1-amine16045-94-6N,N-dibenzyl-3-chloro-1-propanamineBenzenemethanamine, N-(3-chloropropyl)-N-(phenylmethyl)-CTK0A9938bisbenzyl(3-chloropropyl)amineSCHEMBL6947716SCHEMBL14830257DTXSID30274611LHJJKBNOKYQDFO-UHFFFAOYSA-NSBB080708(N,N-dibenzylamino]-1-propylchloride
Show more names
AKOS005267203SB81767
Database identifiers
- CAS
16045-94-6- PubChem CID
- 18482
- DTXSID
DTXSID30274611
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Boiling point
- 363.6 · 363.6±30.0 °C(Predicted)
- Density
- 1.09 · 1.090±0.06 g/cm3(Predicted)
- pka
- 7.34 · 7.34±0.50(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
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
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H318
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
4 records
Compound notes
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