Basic information
- CAS
18655-50-0- Standard SMILES
NCCCc1ccc(Cl)cc1- InChIKey
RVLNDSYSQLMPRC-UHFFFAOYSA-N- Molecular formula
- C9H12ClN
- Average molar mass
- 169.65 g/mol
- Monoisotopic mass
- 169.06582706
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)propan-1-amine
- IUPAC
- 3-(4-chlorophenyl)propan-1-amine
- English name
- 3-(4-CHLORO-PHENYL)-PROPYLAMINE
- Molecular formula
- C9H12ClN
- Molecular weight
- 169.65
Names & synonyms
3-(4-chlorophenyl)propan-1-amine18655-50-04-CHLOROBENZENEPROPANAMINEDTXSID20424542RefChem:492946DTXCID50375376676-328-93-(4-Chloro-phenyl)-propylamine3-(4-Chlorophenyl)propylamineMFCD062129683-(4-CHLOROPHENYL)-1-PROPANAMINE4-Chloro-benzenepropanamine
Show more names
AKOS BB-3064RARECHEM AL BW 0945TIMTEC-BB SBB010509Benzenepropanamine, 4-chloro-3-(4-Chlorophenyl)ptopylaMine3-(4-chlorophenyl)propanamide3-(4-CHLORO-PHENYL)-PROPYLAMINE HCl3-(4-chlorophenyl)propan-1-amine(SALTDATA: FREE)
3-(4-chlorophenyl)-propylamineSTK519333AKOS000302351CS-W021762DS-4829BPWp-chlorophenylpropyp-chlorophenylpropylamine
Database identifiers
- CAS
18655-50-0- PubChem CID
- 6485772
- DTXSID
DTXSID20424542- ChEMBL
CHEMBL5687049- EC Number
- 676-328-9
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 97.7
Physicochemical properties
- Boiling point
- 98 · 98-102 °C(Press: 1.2 Torr)
- Density
- 1.098 · 1.098±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 10.19 · 10.19±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 41 · 41
- Safety Statements
- 26 · 26-39
- HazardClass
- IRRITANT
- 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.
GHS classification
GHS Classification
Danger
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
Safety data
- hs_code
- 2921490090
- risk_code
- 41
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-39
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
15 records
Compound notes
Loading…