Basic information
- CAS
50911-60-9- Standard SMILES
NCCCOc1ccc(Cl)cc1- InChIKey
MCLOWWAMHNUYTJ-UHFFFAOYSA-N- Molecular formula
- C9H12ClNO
- Average molar mass
- 185.65 g/mol
- Monoisotopic mass
- 185.06074168
Names & identifiers
- Preferred name
- 3-(4-Chlorophenoxy)propan-1-amine
- IUPAC
- 3-(4-chlorophenoxy)propan-1-amine
- English name
- 3-(4-chlorophenoxy)propan-1-amine
- Molecular formula
- C9H12ClNO
- Molecular weight
- 185.65
Names & synonyms
50911-60-93-(4-chlorophenoxy)propan-1-amine3-(4-chlorophenoxy)propylamine3-(4-Chloro-phenoxy)-propylamine1-Propanamine, 3-(4-chlorophenoxy)-3-(4-chlorophenoxy)-1-PropanamineMFCD06213576SCHEMBL1249273DTXSID20424466MCLOWWAMHNUYTJ-UHFFFAOYSA-NAC1674SBB010729
Show more names
186984OTAVA-BB 10347663-(4-Chlorophenoxy)UKRORGSYN-BB BBV-087656
AKOS000197675SY008298DB-071277CS-0116571ST50294154EN300-2001832
Database identifiers
- CAS
50911-60-9- PubChem CID
- 6484654
- DTXSID
DTXSID20424466
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 113
Physicochemical properties
- Boiling point
- 290.4 · 290.4±20.0 °C(Predicted)
- Density
- 1.145 · 1.145±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 9.49 · 9.49±0.10(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 312 · H312-H332-H314-H302
- Precautionary statements
- 305 · P305+P351+P338-P280-P310
- HazardClass
- IRRITANT
- HS Code
- 2922290090 · 2922290090
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
- 2922290090
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H312-H332-H314-H302
- Precautionary statements
- P305+P351+P338-P280-P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers13 total
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
天津林宸科技有限公司15122256084 15122256084 · [email protected]
ChemeGen 中国18818260767 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
4 records
Compound notes
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