3-(2-Chlorophenyl)propan-1-amine

HCID 5200411

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 18655-48-6
Standard SMILES: NCCCc1ccccc1Cl
InChIKey: IBVNNEPIXJSRAS-UHFFFAOYSA-N
Molecular formula: C9H12ClN
Average molar mass: 169.65 g/mol
Monoisotopic mass: 169.06582706

Names & identifiers

Preferred name: 3-(2-Chlorophenyl)propan-1-amine
IUPAC: 3-(2-chlorophenyl)propan-1-amine
English name: 3-(2-chlorophenyl)propan-1-amine
Molecular formula: C9H12ClN
Molecular weight: 169.65

Names & synonyms

3-(2-chlorophenyl)propan-1-amine18655-48-63-(2-Chloro-phenyl)-propylamineBenzenepropanamine, 2-chloro-3-(2-chlorophenyl)propylamine3-(2-CHLOROPHENYL)-1-PROPANAMINEMFCD062126362-CHLORO-BENZENEPROPANAMINE[3-(2-chlorophenyl)propyl]amine3-(2-Chlorophenyl)-1-propylamineSCHEMBL2025892SCHEMBL3789553

Show more names

3-(2-chlorophenyl)propan-1-amine(SALTDATA: FREE)

SCHEMBL31504500DTXSID80409456IBVNNEPIXJSRAS-UHFFFAOYSA-NHMS1704L05ALBB-027051SBB010508STK523516AKOS000302350

Database identifiers

CAS: 18655-48-6
PubChem CID: 5200411
DTXSID: DTXSID80409456
Nikkaji: J2.105.495J

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 106

Physicochemical properties

Boiling point: 106 · 106-107 °C(Press: 3 Torr)
Density: 1.098 · 1.098±0.06 g/cm3(Predicted)
pka: 10.12 · 10.12±0.10(Predicted)
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H311-H315-H319-H331-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P337+P313-P361-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Danger
Symbol(GHS): GHS06
Hazard statements: H301-H311-H315-H319-H331-H335
Precautionary statements: P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P337+P313-P361-P403+P233-P405-P501