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Basic information
- CAS
35205-54-0- Standard SMILES
CC(N)COc1ccccc1- InChIKey
IKYFHRVPKIFGMH-UHFFFAOYSA-N- Molecular formula
- C9H13NO
- Average molar mass
- 151.21 g/mol
- Monoisotopic mass
- 151.09971404
Names & identifiers
- Preferred name
- 1-Phenoxy-2-propanamine
- IUPAC
- 1-phenoxypropan-2-amine
- English name
- 1-Methyl-2-phenoxyethylamine
- Molecular formula
- C9H13NO
- Molecular weight
- 151.21
Names & synonyms
35205-54-01-Methyl-2-phenoxyethylamine1-Phenoxy-2-propanamineDTXSID301313534RefChem:435470DTXCID30835241252-434-71-phenoxypropan-2-amine1-Methyl-2-phenoxy-ethylamine2-Phenoxyisopropylamine2-Propanamine, 1-phenoxy-1-Phenoxy-2-propylamine
Show more names
Phenoxyisopropylamine1-phenoxy-2-propanamin1-Phenoxyisopropylamine2-Amino-1-phenoxypropane1-Phenoxypropane-2-amine
MFCD00008083Isoxsuprine Impurity 1ETHYLAMINE, 1-METHYL-2-PHENOXY-C 1926NSC 1377771-phenoxyprop-2-ylamineEINECS 252-434-7BRN 2045304
Database identifiers
- CAS
35205-54-0- PubChem CID
- 37087
- DTXSID
DTXSID301313534- ChEMBL
CHEMBL162135- EC Number
- 252-434-7
- Nikkaji
- J149.932G
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 99.7
Physicochemical properties
- Melting point
- 147 · 147-148 °C
- Boiling point
- 117 · 117-120 °C(Press: 3 Torr)
- Density
- 1.0146 g/cm3 · 1.0146 g/cm3
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- Chloroform; Dichloromethane; Methanol
- form
- Oil
- pka
- 8.22 · 8.22±0.10(Predicted)
- color
- Yellow
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H312-H315-H318-H332-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
- 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.
GHS classification
GHS Classification
Danger
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H312-H315-H318-H332-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
Uses1-Phenoxypropan-2-amine is used in the preparation of antihistaminics and cardiovascular agents.
Suppliers30 total
宁波君龙新材料有限公司0574 88552218 18969899212 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
南京欣丰康生物科技有限公司025-84683399 13952017251 · [email protected]
天津林宸科技有限公司15122256084 15122256084 · [email protected]
郑州鸿尚科技有限公司0371-55932928 18937192232 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
Related reactions
14 records
Compound notes
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