(S)-3-Amino-3-phenyl-1-propanol - CAS 82769-76-4
Catalog: |
BB036906 |
Product Name: |
(S)-3-Amino-3-phenyl-1-propanol |
CAS: |
82769-76-4 |
Synonyms: |
(S)-3-Amino-3-phenylpropan-1-ol; (S)-3-Amino-3-phenyl-1-propanol |
IUPAC Name: | (3S)-3-amino-3-phenylpropan-1-ol |
Description: | (S)-3-Amino-3-phenyl-1-propanol (CAS# 82769-76-4) is a useful intermediate for the synthesis of dapoxetine. |
Molecular Weight: | 151.21 |
Molecular Formula: | C9H13NO |
Canonical SMILES: | C1=CC=C(C=C1)C(CCO)N |
InChI: | InChI=1S/C9H13NO/c10-9(6-7-11)8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m0/s1 |
InChI Key: | SEQXIQNPMQTBGN-VIFPVBQESA-N |
Boiling Point: | 273.23 °C at 760 mmHg |
Melting Point: | 68-69 °C |
Density: | 1.0406 g/cm3 |
MDL: | MFCD01311768 |
LogP: | 1.76910 |
GHS Hazard Statement: | H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113072466-A | Synthetic method of dapoxetine impurity | 20210401 |
CN-108586272-A | A kind of preparation method of 3- aminopropanols or 3- alanine derivatives | 20180628 |
EP-3801896-A1 | Rapidly released bioorthogonal caging groups | 20180530 |
CN-106883133-A | A kind of preparation method of dapoxetine hydrochloride | 20170310 |
CN-106883133-B | A kind of preparation method of dapoxetine hydrochloride | 20170310 |
Complexity: | 99.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.099714038 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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