Basic information
- CAS
82769-76-4- Standard SMILES
N[C@@H](CCO)c1ccccc1- InChIKey
SEQXIQNPMQTBGN-VIFPVBQESA-N- Molecular formula
- C9H13NO
- Average molar mass
- 151.21 g/mol
- Monoisotopic mass
- 151.09971404
Names & identifiers
- Preferred name
- (S)-1-Phenyl-3-propanolamine
- IUPAC
- (3S)-3-amino-3-phenylpropan-1-ol
- English name
- (S)-3-Amino-3-phenylpropan-1-ol
- Molecular formula
- C9H13NO
- Molecular weight
- 151.21
Names & synonyms
(s)-1-phenyl-3-propanolamineRefChem:407816(-)-3-Amino-3-phenylpropanol635-104-0(S)-3-Amino-3-phenylpropan-1-ol82769-76-4(3S)-3-amino-3-phenylpropan-1-olMFCD01311768(s)-3-phenyl-beta-alaninol(S)-3-Amino-3-phenyl-1-propanol(s)-beta-phenylalaninolDapoxetine Impurity 50
Show more names
S-β-Phe-ol(S)-3-Amino-3-phenyLMaraviroc Impurity 9Dapoxetine Impurity 47Dapoxetine Impurity N1(S)-3-Amino-3-phenylpropi-1-ol
SCHEMBL1454854(3S)-3-amino-3-phenyl-1-propanol(s)-3-amino-3-phenyl propan-1-ol(s)-3-amino-3-phenyl-propan-1-olAC-071(S)-3-AMINO-3-PHENYLPROPANOLAKOS015854099CS-W002754
Database identifiers
- CAS
82769-76-4- PubChem CID
- 2734520
- DTXSID
DTXSID90370345- EC Number
- 635-104-0
- Nikkaji
- J2.580.312D
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 99
Physicochemical properties
- Melting point
- 68 · 68-69 °C
- Boiling point
- 273.23 °C · 273.23°C (rough estimate)
- Density
- 1.0406 · 1.0406 (rough estimate)
- refractive index
- 1.4755 · 1.4755 (estimate)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- pka
- 14.9 · 14.90±0.10(Predicted)
- form
- Viscous Liquid or Low Melting Solid
- color
- Colorless or white
- optical activity
- Consistent with structure
- CAS DataBase Reference
- 82769 · 82769-76-4(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
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 (92.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (97.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (92.9%)；Skin Corr. 1C (97.6%)
Safety data
- ridadr
- 3259
- hs_code
- 29211990
- risk_code
- 34
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- C
- safety_code
- 45-36/37/39-26
- hazard_class
- 8
- packing_group
- Ⅲ
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses(S)-3-Amino-3-phenylpropan-1-ol is a useful intermediate for the synthesis of dapoxetine.
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海玉雕化学技术有限公司021-37285211 18964703211 · [email protected]
Related reactions
8 records
Compound notes
Loading…