1-(3-Chlorophenyl)propan-1-amine
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Basic information
- CAS
40023-86-7- Standard SMILES
CCC(N)c1cccc(Cl)c1- InChIKey
PLIWCUPYMOIFAV-UHFFFAOYSA-N- Molecular formula
- C9H12ClN
- Average molar mass
- 169.65 g/mol
- Monoisotopic mass
- 169.0658271
Names & identifiers
- Preferred name
- 1-(3-Chlorophenyl)propan-1-amine
- IUPAC
- 1-(3-chlorophenyl)propan-1-amine
- English name
- 1-(3-CHLOROPHENYL)PROPAN-1-AMINE
- Molecular formula
- C9H12ClN
- Molecular weight
- 169.66
Names & synonyms
1-(3-chlorophenyl)propan-1-amine40023-86-7MFCD094312571-(3-Chloro-phenyl)-propylamine1-(3-chlorophenyl)propylamine3-Chloro-alpha-ethylbenzenemethanamine(S)-1-(3-CHLORO-PHENYL)-PROPYLAMINE(R)-1-(3-Chloro-phenyl)-propylamineSCHEMBL5101972DTXSID00586334PLIWCUPYMOIFAV-UHFFFAOYSA-N1-(3-Chlorophenyl)-1-propanamine
Show more names
3-Chloro-α-ethylbenzenemethanamineBenzenemethanamine, 3-chloro-α-ethyl-Benzenemethanamine, 3-chloro-a-ethyl-Benzenemethanamine, 3-chloro-.alpha.-ethyl-
3-Chloro-|A-ethylbenzenemethanamineALBB-002127QBA02386BBL017841STK486971AKOS000138012AKOS016345323SB30492
Database identifiers
- CAS
40023-86-7- PubChem CID
- 16640645
- DTXSID
DTXSID00586334- EC Number
- 877-145-9
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Boiling point
- 235 · 235.0±15.0 °C(Predicted)
- Density
- 1.093 · 1.093±0.06 g/cm3(Predicted)
- pka
- 9.03 · 9.03±0.10(Predicted)
- Hazard Codes
- Xi
- 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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
2 records
Compound notes
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