(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

Technical Data

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Computed Properties

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

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

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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

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